4311-2579 Screening compound: (5Z)-5-{2-[(2E)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]ethylidene}-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one

4311-2579 Screening compound: (5Z)-5-{2-[(2E)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]ethylidene}-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
4311-2579 Screening compound: (5Z)-5-{2-[(2E)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]ethylidene}-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4311-2579
(5Z)-5-{2-[(2E)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]ethylidene}-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-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

4311-2579

Molecular Formula

C21H19N3OS2 (C21 H19 N3 OS2)

Compound Name

(5Z)-5-{2-[(2E)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]ethylidene}-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5Z)-5-{2-[(2E)-3-ethyl-23-dihydro-13-benzothiazol-2-ylidene]ethylidene}-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one

SMILES

CCN1c(cccc2)c2S/C1=C/C=C(/C(N1c2ccccc2)=O)\N(C)C1=S

InChI

InChI=1S/C21H19N3OS2/c1-3-23-16-11-7-8-12-18(16)27-19(23)14-13-17-20(25)24(21(26)22(17)2)15-9-5-4-6-10-15/h4-14H,3H2,1-2H3

InChI Key

BZNWBZNDWXWJCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03161863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.006

Distribution Coefficient, logD

4.006

Water Solubility, LogSw

-4.05

Polar Surface Area

18.711

Acid Dissociation Constant (pKa)

29.67

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4311-2579 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4311-2579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4311-2579?
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What is the minimum amount of 4311-2579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4311-2579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4311-2579
  • 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 4311-2579 available by request