5499-0028 Screening compound: (5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-hydroxyphenyl)amino]-4,5-dihydro-1,3-thiazol-4-one

5499-0028 Screening compound: (5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-hydroxyphenyl)amino]-4,5-dihydro-1,3-thiazol-4-one
5499-0028 Screening compound: (5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-hydroxyphenyl)amino]-4,5-dihydro-1,3-thiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5499-0028
(5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-hydroxyphenyl)amino]-4,5-dihydro-1,3-thiazol-4-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

5499-0028

Molecular Formula

C16H11ClN2O2S (C16 H11 ClN2 O2 S)

Compound Name

(5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-hydroxyphenyl)amino]-4,5-dihydro-1,3-thiazol-4-one

IUPAC name

(5Z)-5-[(4-chlorophenyl)methylidene]-2-[(4-hydroxyphenyl)amino]-45-dihydro-13-thiazol-4-one

SMILES

Oc(cc1)ccc1NC(S/C1=C\c(cc2)ccc2Cl)=NC1=O

InChI

InChI=1S/C16H11ClN2O2S/c17-11-3-1-10(2-4-11)9-14-15(21)19-16(22-14)18-12-5-7-13(20)8-6-12/h1-9,20H,(H,18,19,21)

InChI Key

IRXTVNABOZORQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02339859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.700

Distribution Coefficient, logD

3.699

Water Solubility, LogSw

-4.43

Polar Surface Area

49.241

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5499-0028 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5499-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5499-0028?
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What is the minimum amount of 5499-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5499-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5499-0028
  • 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 5499-0028 available by request