K091-0183 Screening compound: (4Z)-4-{[(2-chloropyridin-3-yl)amino]methylidene}-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one

K091-0183 Screening compound: (4Z)-4-{[(2-chloropyridin-3-yl)amino]methylidene}-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one
K091-0183 Screening compound: (4Z)-4-{[(2-chloropyridin-3-yl)amino]methylidene}-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K091-0183
(4Z)-4-{[(2-chloropyridin-3-yl)amino]methylidene}-2-(4-nitrophenyl)-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

K091-0183

Molecular Formula

C15H9ClN4O4 (C15 H9 ClN4 O4)

Compound Name

(4Z)-4-{[(2-chloropyridin-3-yl)amino]methylidene}-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-4-{[(2-chloropyridin-3-yl)amino]methylidene}-2-(4-nitrophenyl)-45-dihydro-13-oxazol-5-one

SMILES

[O-][N+](c(cc1)ccc1C(OC1=O)=N/C1=C\Nc1cccnc1Cl)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.71

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.404

Distribution Coefficient, logD

2.400

Water Solubility, LogSw

-3.30

Polar Surface Area

84.345

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

K091-0183 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K091-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K091-0183?
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What is the minimum amount of K091-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K091-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K091-0183
  • 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 K091-0183 available by request