2225-0332 Screening compound: (E)-N-(1-benzyl-2-methyl-1H-1,3-benzodiazol-5-yl)-1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)methanimine

2225-0332 Screening compound: (E)-N-(1-benzyl-2-methyl-1H-1,3-benzodiazol-5-yl)-1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)methanimine
2225-0332 Screening compound: (E)-N-(1-benzyl-2-methyl-1H-1,3-benzodiazol-5-yl)-1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2225-0332
(E)-N-(1-benzyl-2-methyl-1H-1,3-benzodiazol-5-yl)-1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)methanimine

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

2225-0332

Molecular Formula

C24H20N6O2 (C24 H20 N6 O2)

Compound Name

(E)-N-(1-benzyl-2-methyl-1H-1,3-benzodiazol-5-yl)-1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)methanimine

IUPAC name

(E)-N-(1-benzyl-2-methyl-1H-13-benzodiazol-5-yl)-1-(1-methyl-5-nitro-1H-13-benzodiazol-2-yl)methanimine

SMILES

Cc1nc(cc(cc2)/N=C/c3nc(cc(cc4)[N+]([O-])=O)c4n3C)c2n1Cc1ccccc1

InChI

InChI=1S/C24H20N6O2/c1-16-26-20-12-18(8-10-23(20)29(16)15-17-6-4-3-5-7-17)25-14-24-27-21-13-19(30(31)32)9-11-22(21)28(24)2/h3-14H,15H2,1-2H3

InChI Key

MFTFFFQZDZXOON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02926607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.663

Distribution Coefficient, logD

4.493

Water Solubility, LogSw

-4.61

Polar Surface Area

64.439

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

2225-0332 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2225-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2225-0332?
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What is the minimum amount of 2225-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2225-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2225-0332
  • 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 2225-0332 available by request