4476-3194 Screening compound: 2-chloro-N-[(5Z)-5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

4476-3194 Screening compound: 2-chloro-N-[(5Z)-5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
4476-3194 Screening compound: 2-chloro-N-[(5Z)-5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-3194
2-chloro-N-[(5Z)-5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

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

4476-3194

Molecular Formula

C26H16ClN5O4S2 (C26 H16 ClN5 O4 S2)

Compound Name

2-chloro-N-[(5Z)-5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

IUPAC name

2-chloro-N-[(5Z)-5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]benzamide

SMILES

[O-][N+](c1cccc(-c(c(/C=C(/C(N2NC(c(cccc3)c3Cl)=O)=O)\SC2=S)c2)nn2-c2ccccc2)c1)=O

InChI

InChI=1S/C26H16ClN5O4S2/c27-21-12-5-4-11-20(21)24(33)29-31-25(34)22(38-26(31)37)14-17-15-30(18-8-2-1-3-9-18)28-23(17)16-7-6-10-19(13-16)32(35)36/h1-15H,(H,29,33)

InChI Key

CQOUKKMTXNGUOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03461372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.03

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.113

Distribution Coefficient, logD

4.932

Water Solubility, LogSw

-5.40

Polar Surface Area

90.858

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 4476-3194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-3194?
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What is the minimum amount of 4476-3194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-3194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-3194
  • 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 4476-3194 available by request