1287-0125 Screening compound: 2-(1,3-benzoxazol-2-yl)-5-[(E)-[(2E)-3-(3-bromophenyl)prop-2-en-1-ylidene]amino]phenol

1287-0125 Screening compound: 2-(1,3-benzoxazol-2-yl)-5-[(E)-[(2E)-3-(3-bromophenyl)prop-2-en-1-ylidene]amino]phenol
1287-0125 Screening compound: 2-(1,3-benzoxazol-2-yl)-5-[(E)-[(2E)-3-(3-bromophenyl)prop-2-en-1-ylidene]amino]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1287-0125
2-(1,3-benzoxazol-2-yl)-5-[(E)-[(2E)-3-(3-bromophenyl)prop-2-en-1-ylidene]amino]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

1287-0125

Molecular Formula

C22H15BrN2O2 (C22 H15 BrN2 O2)

Compound Name

2-(1,3-benzoxazol-2-yl)-5-[(E)-[(2E)-3-(3-bromophenyl)prop-2-en-1-ylidene]amino]phenol

IUPAC name

2-(13-benzoxazol-2-yl)-5-[(E)-[(2E)-3-(3-bromophenyl)prop-2-en-1-ylidene]amino]phenol

SMILES

Oc(cc(cc1)/N=C/C=C/c2cccc(Br)c2)c1-c1nc(cccc2)c2o1

InChI

InChI=1S/C22H15BrN2O2/c23-16-7-3-5-15(13-16)6-4-12-24-17-10-11-18(20(26)14-17)22-25-19-8-1-2-9-21(19)27-22/h1-14,26H

InChI Key

CBGXQVHEGVDOKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00815989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.278

Distribution Coefficient, logD

6.278

Water Solubility, LogSw

-5.92

Polar Surface Area

42.356

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1287-0125 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1287-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1287-0125?
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What is the minimum amount of 1287-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1287-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1287-0125
  • 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 1287-0125 available by request