2225-0296 Screening compound: (E)-1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)-N-(1-phenyl-1H-1,3-benzodiazol-5-yl)methanimine

2225-0296 Screening compound: (E)-1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)-N-(1-phenyl-1H-1,3-benzodiazol-5-yl)methanimine
2225-0296 Screening compound: (E)-1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)-N-(1-phenyl-1H-1,3-benzodiazol-5-yl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2225-0296
(E)-1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)-N-(1-phenyl-1H-1,3-benzodiazol-5-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

2225-0296

Molecular Formula

C22H16N6O2 (C22 H16 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(ccc([N+]([O-])=O)c2)c2nc1/C=N/c(cc1)cc(nc2)c1n2-c1ccccc1

InChI

InChI=1S/C22H16N6O2/c1-26-20-10-8-17(28(29)30)12-19(20)25-22(26)13-23-15-7-9-21-18(11-15)24-14-27(21)16-5-3-2-4-6-16/h2-14H,1H3

InChI Key

NNFRPXQYTAAEGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02926606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.094

Distribution Coefficient, logD

4.094

Water Solubility, LogSw

-4.40

Polar Surface Area

64.378

Acid Dissociation Constant (pKa)

25.68

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

2225-0296 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 2225-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2225-0296?
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What is the minimum amount of 2225-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2225-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2225-0296
  • 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 2225-0296 available by request