K091-0590 Screening compound: (4E)-2-(naphthalen-1-yl)-4-{[(1,3-thiazol-2-yl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one

K091-0590 Screening compound: (4E)-2-(naphthalen-1-yl)-4-{[(1,3-thiazol-2-yl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one
K091-0590 Screening compound: (4E)-2-(naphthalen-1-yl)-4-{[(1,3-thiazol-2-yl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K091-0590
(4E)-2-(naphthalen-1-yl)-4-{[(1,3-thiazol-2-yl)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

K091-0590

Molecular Formula

C17H11N3O2S (C17 H11 N3 O2 S)

Compound Name

(4E)-2-(naphthalen-1-yl)-4-{[(1,3-thiazol-2-yl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4E)-2-(naphthalen-1-yl)-4-{[(13-thiazol-2-yl)amino]methylidene}-45-dihydro-13-oxazol-5-one

SMILES

O=C1OC(c2cccc3ccccc23)=N/C1=C/Nc1nccs1

InChI

InChI=1S/C17H11N3O2S/c21-16-14(10-19-17-18-8-9-23-17)20-15(22-16)13-7-3-5-11-4-1-2-6-12(11)13/h1-10H,(H,18,19)

InChI Key

BNHGWYJGEATHOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01531866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.041

Distribution Coefficient, logD

3.035

Water Solubility, LogSw

-3.47

Polar Surface Area

52.183

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

K091-0590 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K091-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K091-0590?
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What is the minimum amount of K091-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K091-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K091-0590
  • 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 K091-0590 available by request