K091-1130 Screening compound: (4Z)-2-(4-methylphenyl)-4-({[3-(trifluoromethyl)phenyl]amino}methylidene)-4,5-dihydro-1,3-oxazol-5-one

K091-1130 Screening compound: (4Z)-2-(4-methylphenyl)-4-({[3-(trifluoromethyl)phenyl]amino}methylidene)-4,5-dihydro-1,3-oxazol-5-one
K091-1130 Screening compound: (4Z)-2-(4-methylphenyl)-4-({[3-(trifluoromethyl)phenyl]amino}methylidene)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K091-1130
(4Z)-2-(4-methylphenyl)-4-({[3-(trifluoromethyl)phenyl]amino}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

K091-1130

Molecular Formula

C18H13F3N2O2 (C18 H13 F3 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(OC1=O)=N/C1=C\Nc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C18H13F3N2O2/c1-11-5-7-12(8-6-11)16-23-15(17(24)25-16)10-22-14-4-2-3-13(9-14)18(19,20)21/h2-10,22H,1H3

InChI Key

OJEFSSRYGWYETF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.388

Distribution Coefficient, logD

4.383

Water Solubility, LogSw

-4.42

Polar Surface Area

41.977

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with K091-1130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K091-1130?
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What is the minimum amount of K091-1130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K091-1130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K091-1130
  • 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 K091-1130 available by request