K076-0229 Screening compound: (4Z)-2-(2-bromophenyl)-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

K076-0229 Screening compound: (4Z)-2-(2-bromophenyl)-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
K076-0229 Screening compound: (4Z)-2-(2-bromophenyl)-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K076-0229
(4Z)-2-(2-bromophenyl)-4-[(4-nitrophenyl)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

K076-0229

Molecular Formula

C16H9BrN2O4 (C16 H9 BrN2 O4)

Compound Name

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

IUPAC name

(4Z)-2-(2-bromophenyl)-4-[(4-nitrophenyl)methylidene]-45-dihydro-13-oxazol-5-one

SMILES

[O-][N+](c1ccc(/C=C2\N=C(c(cccc3)c3Br)OC2=O)cc1)=O

InChI

InChI=1S/C16H9BrN2O4/c17-13-4-2-1-3-12(13)15-18-14(16(20)23-15)9-10-5-7-11(8-6-10)19(21)22/h1-9H

InChI Key

CYLVGCXYLQQKLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00399077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.16

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.497

Distribution Coefficient, logD

3.497

Water Solubility, LogSw

-3.91

Polar Surface Area

63.757

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with K076-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K076-0229?
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What is the minimum amount of K076-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K076-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K076-0229
  • 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 K076-0229 available by request