8015-6137 Screening compound: cyclopentyl 6-(4-ethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

8015-6137 Screening compound: cyclopentyl 6-(4-ethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
8015-6137 Screening compound: cyclopentyl 6-(4-ethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6137
cyclopentyl 6-(4-ethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-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

8015-6137

Molecular Formula

C23H27NO4 (C23 H27 NO4)

Compound Name

cyclopentyl 6-(4-ethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

IUPAC name

cyclopentyl 6-(4-ethoxyphenyl)-3-methyl-4-oxo-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

CCOc1ccc(C(Cc2c3c(C)c(C(OC4CCCC4)=O)[nH]2)CC3=O)cc1

InChI

InChI=1S/C23H27NO4/c1-3-27-17-10-8-15(9-11-17)16-12-19-21(20(25)13-16)14(2)22(24-19)23(26)28-18-6-4-5-7-18/h8-11,16,18,24H,3-7,12-13H2,1-2H3/t16-/m1/s1

InChI Key

QUGCFCBJNGKMKG-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD05257107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.609

Distribution Coefficient, logD

4.609

Water Solubility, LogSw

-4.47

Polar Surface Area

52.614

Acid Dissociation Constant (pKa)

5.29

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

8015-6137 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-6137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6137?
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What is the minimum amount of 8015-6137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6137
  • 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 8015-6137 available by request