K091-1140 Screening compound: (4E)-4-{[(3-chloro-2-methylphenyl)amino]methylidene}-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one

K091-1140 Screening compound: (4E)-4-{[(3-chloro-2-methylphenyl)amino]methylidene}-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one
K091-1140 Screening compound: (4E)-4-{[(3-chloro-2-methylphenyl)amino]methylidene}-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K091-1140
(4E)-4-{[(3-chloro-2-methylphenyl)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

K091-1140

Molecular Formula

C18H15ClN2O2 (C18 H15 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(OC1=O)=N/C1=C/Nc1cccc(Cl)c1C

InChI

InChI=1S/C18H15ClN2O2/c1-11-6-8-13(9-7-11)17-21-16(18(22)23-17)10-20-15-5-3-4-14(19)12(15)2/h3-10,20H,1-2H3

InChI Key

AWEYZCIGFQOZIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.500

Distribution Coefficient, logD

4.497

Water Solubility, LogSw

-4.58

Polar Surface Area

41.279

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with K091-1140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K091-1140?
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What is the minimum amount of K091-1140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K091-1140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K091-1140
  • 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 K091-1140 available by request