2151-0005 Screening compound: 4-{[(5Z)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2,4-dichlorobenzoate

2151-0005 Screening compound: 4-{[(5Z)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2,4-dichlorobenzoate
2151-0005 Screening compound: 4-{[(5Z)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2,4-dichlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2151-0005
4-{[(5Z)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2,4-dichlorobenzoate

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

2151-0005

Molecular Formula

C18H11Cl2NO3S2 (C18 H11 Cl2 NO3 S2)

Compound Name

4-{[(5Z)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2,4-dichlorobenzoate

IUPAC name

4-{[(5Z)-3-methyl-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenyl 24-dichlorobenzoate

SMILES

CN(C(/C(/S1)=C/c(cc2)ccc2OC(c(ccc(Cl)c2)c2Cl)=O)=O)C1=S

InChI

InChI=1S/C18H11Cl2NO3S2/c1-21-16(22)15(26-18(21)25)8-10-2-5-12(6-3-10)24-17(23)13-7-4-11(19)9-14(13)20/h2-9H,1H3

InChI Key

ASPDZIWNGOYSKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01361111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.027

Distribution Coefficient, logD

5.027

Water Solubility, LogSw

-5.33

Polar Surface Area

36.857

Acid Dissociation Constant (pKa)

34.05

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

2151-0005 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2151-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2151-0005?
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What is the minimum amount of 2151-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2151-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2151-0005
  • 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 2151-0005 available by request