1989-9513 Screening compound: (4Z)-2-(2-bromophenyl)-4-{[(4-chloro-3-nitrophenyl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one

1989-9513 Screening compound: (4Z)-2-(2-bromophenyl)-4-{[(4-chloro-3-nitrophenyl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one
1989-9513 Screening compound: (4Z)-2-(2-bromophenyl)-4-{[(4-chloro-3-nitrophenyl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1989-9513
(4Z)-2-(2-bromophenyl)-4-{[(4-chloro-3-nitrophenyl)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

1989-9513

Molecular Formula

C16H9BrClN3O4 (C16 H9 BrClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc(cc1)N/C=C2\N=C(c(cccc3)c3Br)OC2=O)c1Cl)=O

InChI

InChI=1S/C16H9BrClN3O4/c17-11-4-2-1-3-10(11)15-20-13(16(22)25-15)8-19-9-5-6-12(18)14(7-9)21(23)24/h1-8,19H

InChI Key

ZZDPTFYHAOHQNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.469

Distribution Coefficient, logD

3.118

Water Solubility, LogSw

-4.03

Polar Surface Area

75.057

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 1989-9513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1989-9513?
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What is the minimum amount of 1989-9513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1989-9513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1989-9513
  • 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 1989-9513 available by request