3976-0175 Screening compound: 4-methyl-N-[(2Z,5Z)-4-oxo-5-[(pyridin-2-yl)methylidene]-1,3-thiazolidin-2-ylidene]benzene-1-sulfonamide

3976-0175 Screening compound: 4-methyl-N-[(2Z,5Z)-4-oxo-5-[(pyridin-2-yl)methylidene]-1,3-thiazolidin-2-ylidene]benzene-1-sulfonamide
3976-0175 Screening compound: 4-methyl-N-[(2Z,5Z)-4-oxo-5-[(pyridin-2-yl)methylidene]-1,3-thiazolidin-2-ylidene]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3976-0175
4-methyl-N-[(2Z,5Z)-4-oxo-5-[(pyridin-2-yl)methylidene]-1,3-thiazolidin-2-ylidene]benzene-1-sulfonamide

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

3976-0175

Molecular Formula

C16H13N3O3S2 (C16 H13 N3 O3 S2)

Compound Name

4-methyl-N-[(2Z,5Z)-4-oxo-5-[(pyridin-2-yl)methylidene]-1,3-thiazolidin-2-ylidene]benzene-1-sulfonamide

IUPAC name

4-methyl-N-[(2Z5Z)-4-oxo-5-[(pyridin-2-yl)methylidene]-13-thiazolidin-2-ylidene]benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(/N=C(/NC1=O)\S/C1=C\c1ncccc1)(=O)=O

InChI

InChI=1S/C16H13N3O3S2/c1-11-5-7-13(8-6-11)24(21,22)19-16-18-15(20)14(23-16)10-12-4-2-3-9-17-12/h2-10H,1H3,(H,18,19,20)

InChI Key

RFHMHPPKCYAKTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02579035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.134

Distribution Coefficient, logD

2.066

Water Solubility, LogSw

-2.84

Polar Surface Area

74.176

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

3976-0175 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3976-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3976-0175?
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What is the minimum amount of 3976-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3976-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3976-0175
  • 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 3976-0175 available by request