2084-9982 Screening compound: (4Z)-2-(4-bromophenyl)-4-{[(3-chloro-4-methylphenyl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one

2084-9982 Screening compound: (4Z)-2-(4-bromophenyl)-4-{[(3-chloro-4-methylphenyl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one
2084-9982 Screening compound: (4Z)-2-(4-bromophenyl)-4-{[(3-chloro-4-methylphenyl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2084-9982
(4Z)-2-(4-bromophenyl)-4-{[(3-chloro-4-methylphenyl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one

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

2084-9982

Molecular Formula

C17H12BrClN2O2 (C17 H12 BrClN2 O2)

Compound Name

(4Z)-2-(4-bromophenyl)-4-{[(3-chloro-4-methylphenyl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-2-(4-bromophenyl)-4-{[(3-chloro-4-methylphenyl)amino]methylidene}-45-dihydro-13-oxazol-5-one

SMILES

Cc(ccc(N/C=C1\N=C(c(cc2)ccc2Br)OC1=O)c1)c1Cl

InChI

InChI=1S/C17H12BrClN2O2/c1-10-2-7-13(8-14(10)19)20-9-15-17(22)23-16(21-15)11-3-5-12(18)6-4-11/h2-9,20H,1H3

InChI Key

AZEARSXEBGKFNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.65

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

5.145

Distribution Coefficient, logD

5.143

Water Solubility, LogSw

-5.74

Polar Surface Area

41.977

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 2084-9982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2084-9982?
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What is the minimum amount of 2084-9982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2084-9982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2084-9982
  • 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 2084-9982 available by request