8007-0981 Screening compound: N-[3-(2-chlorobenzamido)phenyl]-3-methyl-4-nitrobenzamide

8007-0981 Screening compound: N-[3-(2-chlorobenzamido)phenyl]-3-methyl-4-nitrobenzamide
8007-0981 Screening compound: N-[3-(2-chlorobenzamido)phenyl]-3-methyl-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-0981
N-[3-(2-chlorobenzamido)phenyl]-3-methyl-4-nitrobenzamide

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

8007-0981

Molecular Formula

C21H16ClN3O4 (C21 H16 ClN3 O4)

Compound Name

N-[3-(2-chlorobenzamido)phenyl]-3-methyl-4-nitrobenzamide

IUPAC name

N-[3-(2-chlorobenzamido)phenyl]-3-methyl-4-nitrobenzamide

SMILES

Cc(cc(cc1)C(Nc2cccc(NC(c(cccc3)c3Cl)=O)c2)=O)c1[N+]([O-])=O

InChI

InChI=1S/C21H16ClN3O4/c1-13-11-14(9-10-19(13)25(28)29)20(26)23-15-5-4-6-16(12-15)24-21(27)17-7-2-3-8-18(17)22/h2-12H,1H3,(H,23,26)(H,24,27)

InChI Key

KEMVUGHJYIITNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00828339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.729

Distribution Coefficient, logD

4.728

Water Solubility, LogSw

-4.86

Polar Surface Area

79.501

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8007-0981 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8007-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-0981?
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What is the minimum amount of 8007-0981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-0981
  • 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 8007-0981 available by request