4104-0015 Screening compound: 2-(4-ethylphenyl)-2-oxoethyl 2-[(adamantan-1-yl)formamido]-3-(1H-indol-3-yl)propanoate

4104-0015 Screening compound: 2-(4-ethylphenyl)-2-oxoethyl 2-[(adamantan-1-yl)formamido]-3-(1H-indol-3-yl)propanoate
4104-0015 Screening compound: 2-(4-ethylphenyl)-2-oxoethyl 2-[(adamantan-1-yl)formamido]-3-(1H-indol-3-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4104-0015
2-(4-ethylphenyl)-2-oxoethyl 2-[(adamantan-1-yl)formamido]-3-(1H-indol-3-yl)propanoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4104-0015

Molecular Formula

C32H36N2O4 (C32 H36 N2 O4)

Compound Name

2-(4-ethylphenyl)-2-oxoethyl 2-[(adamantan-1-yl)formamido]-3-(1H-indol-3-yl)propanoate

IUPAC name

2-(4-ethylphenyl)-2-oxoethyl 2-[(adamantan-1-yl)formamido]-3-(1H-indol-3-yl)propanoate

SMILES

CCc(cc1)ccc1C(COC(C(Cc1c[nH]c2c1cccc2)NC(C1(CC(C2)C3)CC3CC2C1)=O)=O)=O

InChI

InChI=1S/C32H36N2O4/c1-2-20-7-9-24(10-8-20)29(35)19-38-30(36)28(14-25-18-33-27-6-4-3-5-26(25)27)34-31(37)32-15-21-11-22(16-32)13-23(12-21)17-32/h3-10,18,21-23,28,33H,2,11-17,19H2,1H3,(H,34,37)/t21?,22?,23?,28-,32?/m0/s1

InChI Key

HVSYAVKUNPVONV-QBZYCKGHSA-N

MDL Number (MFCD)

MFCD06663576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.563

Distribution Coefficient, logD

6.563

Water Solubility, LogSw

-6.12

Polar Surface Area

68.291

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.90

4104-0015 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 4104-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4104-0015?
Check Price and Availability of 4104-0015, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4104-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4104-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4104-0015
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4104-0015 available by request