K091-0985 Screening compound: (4Z)-2-(4-butoxyphenyl)-4-({[3-(trifluoromethyl)phenyl]amino}methylidene)-4,5-dihydro-1,3-oxazol-5-one

K091-0985 Screening compound: (4Z)-2-(4-butoxyphenyl)-4-({[3-(trifluoromethyl)phenyl]amino}methylidene)-4,5-dihydro-1,3-oxazol-5-one
K091-0985 Screening compound: (4Z)-2-(4-butoxyphenyl)-4-({[3-(trifluoromethyl)phenyl]amino}methylidene)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K091-0985
(4Z)-2-(4-butoxyphenyl)-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

K091-0985

Molecular Formula

C21H19F3N2O3 (C21 H19 F3 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H19F3N2O3/c1-2-3-11-28-17-9-7-14(8-10-17)19-26-18(20(27)29-19)13-25-16-6-4-5-15(12-16)21(22,23)24/h4-10,12-13,25H,2-3,11H2,1H3

InChI Key

GIEMBRSILBAMPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.397

Distribution Coefficient, logD

5.392

Water Solubility, LogSw

-5.38

Polar Surface Area

49.394

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with K091-0985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K091-0985?
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What is the minimum amount of K091-0985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K091-0985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K091-0985
  • 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 K091-0985 available by request