1988-0127 Screening compound: N-{5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

1988-0127 Screening compound: N-{5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
1988-0127 Screening compound: N-{5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-0127
N-{5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

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

1988-0127

Molecular Formula

C23H17Cl2N3O2S3 (C23 H17 Cl2 N3 O2 S3)

Compound Name

N-{5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl}-3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

IUPAC name

N-{5-[(2-chlorophenyl)methyl]-13-thiazol-2-yl}-3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]propanamide

SMILES

O=C(CCN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S)Nc1ncc(Cc(cccc2)c2Cl)s1

InChI

InChI=1S/C23H17Cl2N3O2S3/c24-17-7-3-1-5-14(17)11-16-13-26-22(32-16)27-20(29)9-10-28-21(30)19(33-23(28)31)12-15-6-2-4-8-18(15)25/h1-8,12-13H,9-11H2,(H,26,27,29)

InChI Key

IKJQCTPBESPOLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01026812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.542

Distribution Coefficient, logD

6.536

Water Solubility, LogSw

-6.24

Polar Surface Area

49.867

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

1988-0127 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 1988-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-0127?
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What is the minimum amount of 1988-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-0127
  • 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 1988-0127 available by request