K091-0033 Screening compound: (4Z)-4-{[(3-chloro-4-methoxyphenyl)amino]methylidene}-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one

K091-0033 Screening compound: (4Z)-4-{[(3-chloro-4-methoxyphenyl)amino]methylidene}-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one
K091-0033 Screening compound: (4Z)-4-{[(3-chloro-4-methoxyphenyl)amino]methylidene}-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K091-0033
(4Z)-4-{[(3-chloro-4-methoxyphenyl)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

K091-0033

Molecular Formula

C18H15ClN2O3 (C18 H15 ClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(OC1=O)=N/C1=C\Nc(cc1)cc(Cl)c1OC

InChI

InChI=1S/C18H15ClN2O3/c1-11-3-5-12(6-4-11)17-21-15(18(22)24-17)10-20-13-7-8-16(23-2)14(19)9-13/h3-10,20H,1-2H3

InChI Key

CLTDBWCIQIKIDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01531802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.855

Distribution Coefficient, logD

3.852

Water Solubility, LogSw

-4.48

Polar Surface Area

49.607

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

K091-0033 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 K091-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K091-0033?
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What is the minimum amount of K091-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K091-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K091-0033
  • 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 K091-0033 available by request