0781-2890 Screening compound: (1E,2E)-3-(4-bromophenyl)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine

0781-2890 Screening compound: (1E,2E)-3-(4-bromophenyl)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
0781-2890 Screening compound: (1E,2E)-3-(4-bromophenyl)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0781-2890
(1E,2E)-3-(4-bromophenyl)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine

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

0781-2890

Molecular Formula

C22H14BrFN2O (C22 H14 BrFN2 O)

Compound Name

(1E,2E)-3-(4-bromophenyl)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine

IUPAC name

(1E2E)-3-(4-bromophenyl)-N-[2-(3-fluorophenyl)-13-benzoxazol-5-yl]prop-2-en-1-imine

SMILES

Fc1cccc(-c2nc(cc(cc3)/N=C/C=C/c(cc4)ccc4Br)c3o2)c1

InChI

InChI=1S/C22H14BrFN2O/c23-17-8-6-15(7-9-17)3-2-12-25-19-10-11-21-20(14-19)26-22(27-21)16-4-1-5-18(24)13-16/h1-14H

InChI Key

FAKWBSZOAXLBFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00354290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.135

Distribution Coefficient, logD

6.135

Water Solubility, LogSw

-6.24

Polar Surface Area

25.807

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0781-2890 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0781-2890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0781-2890?
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What is the minimum amount of 0781-2890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0781-2890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0781-2890
  • 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 0781-2890 available by request