0960-0063 Screening compound: 4-bromo-2-chloro-6-[(E)-{[2-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]phenol

0960-0063 Screening compound: 4-bromo-2-chloro-6-[(E)-{[2-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]phenol
0960-0063 Screening compound: 4-bromo-2-chloro-6-[(E)-{[2-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0960-0063
4-bromo-2-chloro-6-[(E)-{[2-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]phenol

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

0960-0063

Molecular Formula

C22H16BrClN2O2 (C22 H16 BrClN2 O2)

Compound Name

4-bromo-2-chloro-6-[(E)-{[2-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl]phenol

IUPAC name

4-bromo-2-chloro-6-[(E)-{[2-methyl-5-(4-methyl-13-benzoxazol-2-yl)phenyl]imino}methyl]phenol

SMILES

Cc1cccc2c1nc(-c1cc(/N=C/c3cc(Br)cc(Cl)c3O)c(C)cc1)o2

InChI

InChI=1S/C22H16BrClN2O2/c1-12-6-7-14(22-26-20-13(2)4-3-5-19(20)28-22)9-18(12)25-11-15-8-16(23)10-17(24)21(15)27/h3-11,27H,1-2H3

InChI Key

LFXVXAFMOACTEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00296377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.349

Distribution Coefficient, logD

6.804

Water Solubility, LogSw

-6.20

Polar Surface Area

40.728

Acid Dissociation Constant (pKa)

7.00

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 0960-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0960-0063?
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What is the minimum amount of 0960-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0960-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0960-0063
  • 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 0960-0063 available by request