2479-1940 Screening compound: 4-{[(2E)-5-({4-[(difluoromethyl)sulfanyl]phenyl}methyl)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]amino}benzoic acid

2479-1940 Screening compound: 4-{[(2E)-5-({4-[(difluoromethyl)sulfanyl]phenyl}methyl)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]amino}benzoic acid
2479-1940 Screening compound: 4-{[(2E)-5-({4-[(difluoromethyl)sulfanyl]phenyl}methyl)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2479-1940
4-{[(2E)-5-({4-[(difluoromethyl)sulfanyl]phenyl}methyl)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]amino}benzoic acid

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

2479-1940

Molecular Formula

C21H18F2N2O3S2 (C21 H18 F2 N2 O3 S2)

Compound Name

4-{[(2E)-5-({4-[(difluoromethyl)sulfanyl]phenyl}methyl)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]amino}benzoic acid

IUPAC name

4-{[(2E)-5-({4-[(difluoromethyl)sulfanyl]phenyl}methyl)-4-oxo-3-(prop-2-en-1-yl)-13-thiazolidin-2-ylidene]amino}benzoic acid

SMILES

C=CCN(C(C(Cc(cc1)ccc1SC(F)F)S1)=O)/C1=N\c(cc1)ccc1C(O)=O

InChI

InChI=1S/C21H18F2N2O3S2/c1-2-11-25-18(26)17(12-13-3-9-16(10-4-13)29-20(22)23)30-21(25)24-15-7-5-14(6-8-15)19(27)28/h2-10,17,20H,1,11-12H2,(H,27,28)/t17-/m0/s1

InChI Key

HBKZEXDNNIEMKH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02052044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.51

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

5.191

Distribution Coefficient, logD

1.801

Water Solubility, LogSw

-5.20

Polar Surface Area

53.522

Acid Dissociation Constant (pKa)

4.01

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

2479-1940 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2479-1940 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2479-1940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2479-1940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2479-1940
  • 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 2479-1940 available by request