0934-0445 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)phenyl]-2-chloro-3,5-dinitrobenzamide

0934-0445 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)phenyl]-2-chloro-3,5-dinitrobenzamide
0934-0445 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)phenyl]-2-chloro-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0934-0445
N-[2-(1H-1,3-benzodiazol-2-yl)phenyl]-2-chloro-3,5-dinitrobenzamide

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

0934-0445

Molecular Formula

C20H12ClN5O5 (C20 H12 ClN5 O5)

Compound Name

N-[2-(1H-1,3-benzodiazol-2-yl)phenyl]-2-chloro-3,5-dinitrobenzamide

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)phenyl]-2-chloro-35-dinitrobenzamide

SMILES

[O-][N+](c(cc1C(Nc(cccc2)c2-c2nc(cccc3)c3[nH]2)=O)cc([N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C20H12ClN5O5/c21-18-13(9-11(25(28)29)10-17(18)26(30)31)20(27)24-14-6-2-1-5-12(14)19-22-15-7-3-4-8-16(15)23-19/h1-10H,(H,22,23)(H,24,27)

InChI Key

KOAOLORZRLJFSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00226506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.8

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.332

Distribution Coefficient, logD

4.158

Water Solubility, LogSw

-4.94

Polar Surface Area

108.113

Acid Dissociation Constant (pKa)

7.71

Base Dissociation Constant (pKb)

4.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0934-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0934-0445?
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What is the minimum amount of 0934-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0934-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0934-0445
  • 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 0934-0445 available by request