0960-0222 Screening compound: (E)-1-(4-chloro-3-nitrophenyl)-N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]methanimine

0960-0222 Screening compound: (E)-1-(4-chloro-3-nitrophenyl)-N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]methanimine
0960-0222 Screening compound: (E)-1-(4-chloro-3-nitrophenyl)-N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0960-0222
(E)-1-(4-chloro-3-nitrophenyl)-N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]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

0960-0222

Molecular Formula

C23H18ClN3O3 (C23 H18 ClN3 O3)

Compound Name

(E)-1-(4-chloro-3-nitrophenyl)-N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]methanimine

IUPAC name

(E)-1-(4-chloro-3-nitrophenyl)-N-[5-(57-dimethyl-13-benzoxazol-2-yl)-2-methylphenyl]methanimine

SMILES

Cc(cc1C)cc2c1oc(-c1cc(/N=C/c(cc3)cc([N+]([O-])=O)c3Cl)c(C)cc1)n2

InChI

InChI=1S/C23H18ClN3O3/c1-13-8-15(3)22-20(9-13)26-23(30-22)17-6-4-14(2)19(11-17)25-12-16-5-7-18(24)21(10-16)27(28)29/h4-12H,1-3H3

InChI Key

OHYCKUXJYPFGDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00695168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.330

Distribution Coefficient, logD

6.330

Water Solubility, LogSw

-6.47

Polar Surface Area

57.792

Acid Dissociation Constant (pKa)

26.59

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

0960-0222 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0960-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0960-0222?
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What is the minimum amount of 0960-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0960-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0960-0222
  • 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 0960-0222 available by request