K091-0367 Screening compound: (4E)-2-(4-butylphenyl)-4-({[3-(trifluoromethyl)phenyl]amino}methylidene)-4,5-dihydro-1,3-oxazol-5-one

K091-0367 Screening compound: (4E)-2-(4-butylphenyl)-4-({[3-(trifluoromethyl)phenyl]amino}methylidene)-4,5-dihydro-1,3-oxazol-5-one
K091-0367 Screening compound: (4E)-2-(4-butylphenyl)-4-({[3-(trifluoromethyl)phenyl]amino}methylidene)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K091-0367
(4E)-2-(4-butylphenyl)-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

K091-0367

Molecular Formula

C21H19F3N2O2 (C21 H19 F3 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H19F3N2O2/c1-2-3-5-14-8-10-15(11-9-14)19-26-18(20(27)28-19)13-25-17-7-4-6-16(12-17)21(22,23)24/h4,6-13,25H,2-3,5H2,1H3

InChI Key

PMBJJYKKKLRHID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01531816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.934

Distribution Coefficient, logD

5.929

Water Solubility, LogSw

-5.55

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

23.80

References: we are preparing a list of scientific research reports with K091-0367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K091-0367?
Check Price and Availability of K091-0367, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K091-0367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K091-0367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K091-0367
  • 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 K091-0367 available by request