4719-0039 Screening compound: (5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one

4719-0039 Screening compound: (5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one
4719-0039 Screening compound: (5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4719-0039
(5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-2-(pyrrolidin-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

4719-0039

Molecular Formula

C16H19N3OS (C16 H19 N3 OS)

Compound Name

(5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one

IUPAC name

(5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-2-(pyrrolidin-1-yl)-45-dihydro-13-thiazol-4-one

SMILES

CN(C)c1ccc(/C=C2\SC(N3CCCC3)=NC2=O)cc1

InChI

InChI=1S/C16H19N3OS/c1-18(2)13-7-5-12(6-8-13)11-14-15(20)17-16(21-14)19-9-3-4-10-19/h5-8,11H,3-4,9-10H2,1-2H3

InChI Key

MDJIQYIAICRHNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00174722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.995

Distribution Coefficient, logD

2.995

Water Solubility, LogSw

-3.24

Polar Surface Area

28.766

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

4719-0039 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 4719-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4719-0039?
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What is the minimum amount of 4719-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4719-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4719-0039
  • 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 4719-0039 available by request