K091-1157 Screening compound: 2-(4-bromophenyl)-4-[(E)-1-(4-chloro-3-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one

K091-1157 Screening compound: 2-(4-bromophenyl)-4-[(E)-1-(4-chloro-3-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
K091-1157 Screening compound: 2-(4-bromophenyl)-4-[(E)-1-(4-chloro-3-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K091-1157
2-(4-bromophenyl)-4-[(E)-1-(4-chloro-3-nitroanilino)methylidene]-1,3-oxazol-5(4H)-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

K091-1157

Molecular Formula

C16H9BrClN3O4 (C16 H9 BrClN3 O4)

Compound Name

2-(4-bromophenyl)-4-[(E)-1-(4-chloro-3-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one

IUPAC name

(4E)-2-(4-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(cc3)ccc3Br)OC2=O)c1Cl)=O

InChI

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

InChI Key

WVJPKQXUTMQRTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088216

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

4.030

Distribution Coefficient, logD

3.678

Water Solubility, LogSw

-4.56

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 K091-1157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K091-1157?
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What is the minimum amount of K091-1157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K091-1157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K091-1157
  • 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 K091-1157 available by request