1967-9237 Screening compound: (4Z)-4-{[(3-nitrophenyl)amino]methylidene}-2-phenyl-4,5-dihydro-1,3-oxazol-5-one

1967-9237 Screening compound: (4Z)-4-{[(3-nitrophenyl)amino]methylidene}-2-phenyl-4,5-dihydro-1,3-oxazol-5-one
1967-9237 Screening compound: (4Z)-4-{[(3-nitrophenyl)amino]methylidene}-2-phenyl-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1967-9237
(4Z)-4-{[(3-nitrophenyl)amino]methylidene}-2-phenyl-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

1967-9237

Molecular Formula

C16H11N3O4 (C16 H11 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cc(N/C=C2\N=C(c3ccccc3)OC2=O)ccc1)=O

InChI

InChI=1S/C16H11N3O4/c20-16-14(18-15(23-16)11-5-2-1-3-6-11)10-17-12-7-4-8-13(9-12)19(21)22/h1-10,17H

InChI Key

FNZDRFHAYZRUFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01168766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.28

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

2.884

Distribution Coefficient, logD

2.876

Water Solubility, LogSw

-3.61

Polar Surface Area

75.358

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1967-9237 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1967-9237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1967-9237?
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What is the minimum amount of 1967-9237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1967-9237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1967-9237
  • 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 1967-9237 available by request