4670-0075 Screening compound: (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-4-one

4670-0075 Screening compound: (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-4-one
4670-0075 Screening compound: (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4670-0075
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methylpiperazin-1-yl)-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

4670-0075

Molecular Formula

C17H21N3O3S (C17 H21 N3 O3 S)

Compound Name

(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-4-one

IUPAC name

(5E)-5-[(34-dimethoxyphenyl)methylidene]-2-(4-methylpiperazin-1-yl)-45-dihydro-13-thiazol-4-one

SMILES

CN(CC1)CCN1C(S/C1=C/c(cc2)cc(OC)c2OC)=NC1=O

InChI

InChI=1S/C17H21N3O3S/c1-19-6-8-20(9-7-19)17-18-16(21)15(24-17)11-12-4-5-13(22-2)14(10-12)23-3/h4-5,10-11H,6-9H2,1-3H3

InChI Key

UFGZHNAAQZTLQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01806222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.614

Distribution Coefficient, logD

0.882

Water Solubility, LogSw

-2.28

Polar Surface Area

44.333

Acid Dissociation Constant (pKa)

30.75

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

4670-0075 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Human GPCR Annotated Library (5539 compounds)

Therapeutical Diversity Annotated Library (7563 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 4670-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4670-0075?
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What is the minimum amount of 4670-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4670-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4670-0075
  • 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 4670-0075 available by request