4104-0010 Screening compound: 2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl 2-[(adamantan-1-yl)formamido]-3-phenylpropanoate

4104-0010 Screening compound: 2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl 2-[(adamantan-1-yl)formamido]-3-phenylpropanoate
4104-0010 Screening compound: 2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl 2-[(adamantan-1-yl)formamido]-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4104-0010
2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl 2-[(adamantan-1-yl)formamido]-3-phenylpropanoate

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

4104-0010

Molecular Formula

C37H47NO4 (C37 H47 NO4)

Compound Name

2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl 2-[(adamantan-1-yl)formamido]-3-phenylpropanoate

IUPAC name

2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl 2-[(adamantan-1-yl)formamido]-3-phenylpropanoate

SMILES

CCCC(CC1)CCC1c(cc1)ccc1C(COC(C(Cc1ccccc1)NC(C1(CC(C2)C3)CC3CC2C1)=O)=O)=O

InChI

InChI=1S/C37H47NO4/c1-2-6-25-9-11-30(12-10-25)31-13-15-32(16-14-31)34(39)24-42-35(40)33(20-26-7-4-3-5-8-26)38-36(41)37-21-27-17-28(22-37)19-29(18-27)23-37/h3-5,7-8,13-16,25,27-30,33H,2,6,9-12,17-24H2,1H3,(H,38,41)/t25?,27?,28?,29?,30?,33-,37?/m0/s1

InChI Key

LEIRDWUUTSCTPW-FLEUHOLMSA-N

MDL Number (MFCD)

MFCD02932298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.78

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

9.098

Distribution Coefficient, logD

9.098

Water Solubility, LogSw

-5.97

Polar Surface Area

58.341

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.50

4104-0010 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

ACE2 Library (3043 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 4104-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4104-0010?
Check Price and Availability of 4104-0010, 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 4104-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4104-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4104-0010
  • 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 4104-0010 available by request