2513-2694 Screening compound: N-{2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl}-5-chloro-2-nitrobenzamide

2513-2694 Screening compound: N-{2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl}-5-chloro-2-nitrobenzamide
2513-2694 Screening compound: N-{2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl}-5-chloro-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-2694
N-{2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl}-5-chloro-2-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

2513-2694

Molecular Formula

C28H20ClN3O5 (C28 H20 ClN3 O5)

Compound Name

N-{2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl}-5-chloro-2-nitrobenzamide

IUPAC name

N-{2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl}-5-chloro-2-nitrobenzamide

SMILES

Cc(cc1)cc(C(c2ccccc2)=O)c1NC(c(cccc1)c1NC(c(cc(cc1)Cl)c1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C28H20ClN3O5/c1-17-11-13-24(21(15-17)26(33)18-7-3-2-4-8-18)31-27(34)20-9-5-6-10-23(20)30-28(35)22-16-19(29)12-14-25(22)32(36)37/h2-16H,1H3,(H,30,35)(H,31,34)

InChI Key

AYRRXZIVXSDARM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.94

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.598

Distribution Coefficient, logD

4.664

Water Solubility, LogSw

-5.86

Polar Surface Area

91.573

Acid Dissociation Constant (pKa)

6.52

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

2513-2694 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 2513-2694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-2694?
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What is the minimum amount of 2513-2694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-2694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-2694
  • 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 2513-2694 available by request