K074-6544 Screening compound: (4Z)-2-(4-nitrophenyl)-4-{[3-(trifluoromethyl)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one

K074-6544 Screening compound: (4Z)-2-(4-nitrophenyl)-4-{[3-(trifluoromethyl)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one
K074-6544 Screening compound: (4Z)-2-(4-nitrophenyl)-4-{[3-(trifluoromethyl)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K074-6544
(4Z)-2-(4-nitrophenyl)-4-{[3-(trifluoromethyl)phenyl]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

K074-6544

Molecular Formula

C17H9F3N2O4 (C17 H9 F3 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1C(OC1=O)=N/C1=C\c1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C17H9F3N2O4/c18-17(19,20)12-3-1-2-10(8-12)9-14-16(23)26-15(21-14)11-4-6-13(7-5-11)22(24)25/h1-9H

InChI Key

BLCJEMCTXWAAFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01538687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.060

Distribution Coefficient, logD

4.060

Water Solubility, LogSw

-4.50

Polar Surface Area

63.757

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

K074-6544 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K074-6544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K074-6544?
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What is the minimum amount of K074-6544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K074-6544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K074-6544
  • 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 K074-6544 available by request