1934-0056 Screening compound: (5E)-5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

1934-0056 Screening compound: (5E)-5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
1934-0056 Screening compound: (5E)-5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1934-0056
(5E)-5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-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

1934-0056

Molecular Formula

C21H10ClF3N2O4S2 (C21 H10 ClF3 N2 O4 S2)

Compound Name

(5E)-5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-13-thiazolidin-4-one

SMILES

[O-][N+](c(cc(cc1)-c2ccc(/C=C(\C(N3c4cc(C(F)(F)F)ccc4)=O)/SC3=S)o2)c1Cl)=O

InChI

InChI=1S/C21H10ClF3N2O4S2/c22-15-6-4-11(8-16(15)27(29)30)17-7-5-14(31-17)10-18-19(28)26(20(32)33-18)13-3-1-2-12(9-13)21(23,24)25/h1-10H

InChI Key

UAODQPVDEVUGOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01360323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.9

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.236

Distribution Coefficient, logD

6.236

Water Solubility, LogSw

-6.56

Polar Surface Area

56.481

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

1934-0056 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1934-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1934-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1934-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1934-0056
  • 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 1934-0056 available by request