C276-0404 Screening compound: 2-phenylethyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0404 Screening compound: 2-phenylethyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0404 Screening compound: 2-phenylethyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0404
2-phenylethyl 6-(4-chlorophenyl)-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

C276-0404

Molecular Formula

C24H22ClNO3 (C24 H22 ClNO3)

Compound Name

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

IUPAC name

2-phenylethyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

Cc1c(C(OCCc2ccccc2)=O)[nH]c(CC(C2)c(cc3)ccc3Cl)c1C2=O

InChI

InChI=1S/C24H22ClNO3/c1-15-22-20(13-18(14-21(22)27)17-7-9-19(25)10-8-17)26-23(15)24(28)29-12-11-16-5-3-2-4-6-16/h2-10,18,26H,11-14H2,1H3/t18-/m0/s1

InChI Key

BLXXASMZUXUGCJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD06754174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.614

Distribution Coefficient, logD

5.614

Water Solubility, LogSw

-6.27

Polar Surface Area

45.817

Acid Dissociation Constant (pKa)

5.29

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C276-0404 in Drug Discovery

Included in Screening Libraries

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 C276-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0404?
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What is the minimum amount of C276-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0404
  • 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 C276-0404 available by request