3269-0476 Screening compound: (2E)-3-methyl-2-({4-[(4-nitrophenyl)sulfanyl]phenyl}imino)-1,3-thiazolidin-4-one

3269-0476 Screening compound: (2E)-3-methyl-2-({4-[(4-nitrophenyl)sulfanyl]phenyl}imino)-1,3-thiazolidin-4-one
3269-0476 Screening compound: (2E)-3-methyl-2-({4-[(4-nitrophenyl)sulfanyl]phenyl}imino)-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3269-0476
(2E)-3-methyl-2-({4-[(4-nitrophenyl)sulfanyl]phenyl}imino)-1,3-thiazolidin-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

3269-0476

Molecular Formula

C16H13N3O3S2 (C16 H13 N3 O3 S2)

Compound Name

(2E)-3-methyl-2-({4-[(4-nitrophenyl)sulfanyl]phenyl}imino)-1,3-thiazolidin-4-one

IUPAC name

(2E)-3-methyl-2-({4-[(4-nitrophenyl)sulfanyl]phenyl}imino)-13-thiazolidin-4-one

SMILES

CN(C(CS1)=O)/C1=N\c(cc1)ccc1Sc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C16H13N3O3S2/c1-18-15(20)10-23-16(18)17-11-2-6-13(7-3-11)24-14-8-4-12(5-9-14)19(21)22/h2-9H,10H2,1H3

InChI Key

YFQUUOUGTGFJTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.807

Distribution Coefficient, logD

3.807

Water Solubility, LogSw

-3.91

Polar Surface Area

58.561

Acid Dissociation Constant (pKa)

21.98

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3269-0476 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 3269-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3269-0476?
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What is the minimum amount of 3269-0476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3269-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3269-0476
  • 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 3269-0476 available by request