0960-0186 Screening compound: (E)-1-(4-bromophenyl)-N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]methanimine

0960-0186 Screening compound: (E)-1-(4-bromophenyl)-N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]methanimine
0960-0186 Screening compound: (E)-1-(4-bromophenyl)-N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0960-0186
(E)-1-(4-bromophenyl)-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

0960-0186

Molecular Formula

C23H19BrN2O (C23 H19 BrN2 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1C)cc2c1oc(-c1cc(/N=C/c(cc3)ccc3Br)c(C)cc1)n2

InChI

InChI=1S/C23H19BrN2O/c1-14-10-16(3)22-21(11-14)26-23(27-22)18-7-4-15(2)20(12-18)25-13-17-5-8-19(24)9-6-17/h4-13H,1-3H3

InChI Key

NDJVASANHZFQGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00695146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.793

Distribution Coefficient, logD

6.793

Water Solubility, LogSw

-5.82

Polar Surface Area

24.711

Acid Dissociation Constant (pKa)

26.59

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

0960-0186 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0960-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0960-0186?
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What is the minimum amount of 0960-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0960-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0960-0186
  • 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 0960-0186 available by request