K091-1107 Screening compound: (4E)-4-{[(4-chloro-3-nitrophenyl)amino]methylidene}-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one

K091-1107 Screening compound: (4E)-4-{[(4-chloro-3-nitrophenyl)amino]methylidene}-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one
K091-1107 Screening compound: (4E)-4-{[(4-chloro-3-nitrophenyl)amino]methylidene}-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K091-1107
(4E)-4-{[(4-chloro-3-nitrophenyl)amino]methylidene}-2-(4-methylphenyl)-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

K091-1107

Molecular Formula

C17H12ClN3O4 (C17 H12 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(OC1=O)=N/C1=C/Nc(cc1)cc([N+]([O-])=O)c1Cl

InChI

InChI=1S/C17H12ClN3O4/c1-10-2-4-11(5-3-10)16-20-14(17(22)25-16)9-19-12-6-7-13(18)15(8-12)21(23)24/h2-9,19H,1H3

InChI Key

FTDPWUNZYZTWSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.75

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

3.619

Distribution Coefficient, logD

3.268

Water Solubility, LogSw

-4.24

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

5.90

References: we are preparing a list of scientific research reports with K091-1107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K091-1107?
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What is the minimum amount of K091-1107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K091-1107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K091-1107
  • 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 K091-1107 available by request