3952-0323 Screening compound: N-[4-(6-benzoyl-1H-1,3-benzodiazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide

3952-0323 Screening compound: N-[4-(6-benzoyl-1H-1,3-benzodiazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide
3952-0323 Screening compound: N-[4-(6-benzoyl-1H-1,3-benzodiazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3952-0323
N-[4-(6-benzoyl-1H-1,3-benzodiazol-2-yl)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

3952-0323

Molecular Formula

C28H20N4O4 (C28 H20 N4 O4)

Compound Name

N-[4-(6-benzoyl-1H-1,3-benzodiazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide

IUPAC name

N-[4-(6-benzoyl-1H-13-benzodiazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide

SMILES

Cc(cc(cc1)C(Nc(cc2)ccc2-c2nc(ccc(C(c3ccccc3)=O)c3)c3[nH]2)=O)c1[N+]([O-])=O

InChI

InChI=1S/C28H20N4O4/c1-17-15-21(10-14-25(17)32(35)36)28(34)29-22-11-7-19(8-12-22)27-30-23-13-9-20(16-24(23)31-27)26(33)18-5-3-2-4-6-18/h2-16H,1H3,(H,29,34)(H,30,31)

InChI Key

QBDLVBKREXNSNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01159182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.298

Distribution Coefficient, logD

6.298

Water Solubility, LogSw

-5.57

Polar Surface Area

88.897

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

3952-0323 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 3952-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3952-0323?
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What is the minimum amount of 3952-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3952-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3952-0323
  • 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 3952-0323 available by request