8016-9938 Screening compound: 2-{[2-(1H-indol-3-yl)-2-oxoacetyl]amino}-N~1~-(3-methylphenyl)benzamide

8016-9938 Screening compound: 2-{[2-(1H-indol-3-yl)-2-oxoacetyl]amino}-N~1~-(3-methylphenyl)benzamide
8016-9938 Screening compound: 2-{[2-(1H-indol-3-yl)-2-oxoacetyl]amino}-N~1~-(3-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9938
2-{[2-(1H-indol-3-yl)-2-oxoacetyl]amino}-N~1~-(3-methylphenyl)benzamide

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

8016-9938

Molecular Formula

C24H19N3O3 (C24 H19 N3 O3)

Compound Name

2-{[2-(1H-indol-3-yl)-2-oxoacetyl]amino}-N~1~-(3-methylphenyl)benzamide

IUPAC name

2-[2-(1H-indol-3-yl)-2-oxoacetamido]-N-(3-methylphenyl)benzamide

SMILES

Cc1cccc(NC(c(cccc2)c2NC(C(c2c[nH]c3c2cccc3)=O)=O)=O)c1

InChI

InChI=1S/C24H19N3O3/c1-15-7-6-8-16(13-15)26-23(29)18-10-3-5-12-21(18)27-24(30)22(28)19-14-25-20-11-4-2-9-17(19)20/h2-14,25H,1H3,(H,26,29)(H,27,30)

InChI Key

UJEMPNDJNOUNSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.422

Distribution Coefficient, logD

4.414

Water Solubility, LogSw

-4.36

Polar Surface Area

69.332

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.17

8016-9938 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-9938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9938?
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What is the minimum amount of 8016-9938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9938
  • 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 8016-9938 available by request