2332-0547 Screening compound: ethyl 5-(adamantane-1-carbonyloxy)-2-methyl-1-phenyl-1H-indole-3-carboxylate

2332-0547 Screening compound: ethyl 5-(adamantane-1-carbonyloxy)-2-methyl-1-phenyl-1H-indole-3-carboxylate
2332-0547 Screening compound: ethyl 5-(adamantane-1-carbonyloxy)-2-methyl-1-phenyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2332-0547
ethyl 5-(adamantane-1-carbonyloxy)-2-methyl-1-phenyl-1H-indole-3-carboxylate

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

2332-0547

Molecular Formula

C29H31NO4 (C29 H31 NO4)

Compound Name

ethyl 5-(adamantane-1-carbonyloxy)-2-methyl-1-phenyl-1H-indole-3-carboxylate

IUPAC name

ethyl 5-(adamantane-1-carbonyloxy)-2-methyl-1-phenyl-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2ccc(OC(C3(CC(C4)C5)CC5CC4C3)=O)c1)c(C)n2-c1ccccc1)=O

InChI

InChI=1S/C29H31NO4/c1-3-33-27(31)26-18(2)30(22-7-5-4-6-8-22)25-10-9-23(14-24(25)26)34-28(32)29-15-19-11-20(16-29)13-21(12-19)17-29/h4-10,14,19-21H,3,11-13,15-17H2,1-2H3

InChI Key

KPODRBJVYSVHMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.875

Distribution Coefficient, logD

6.875

Water Solubility, LogSw

-5.83

Polar Surface Area

43.347

Acid Dissociation Constant (pKa)

24.62

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

2332-0547 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • 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
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2332-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2332-0547?
Check Price and Availability of 2332-0547, 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 2332-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2332-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2332-0547
  • 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 2332-0547 available by request