6275-3814 Screening compound: 2-[(5E)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid

6275-3814 Screening compound: 2-[(5E)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid
6275-3814 Screening compound: 2-[(5E)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6275-3814
2-[(5E)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic 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

6275-3814

Molecular Formula

C22H14ClNO4S2 (C22 H14 ClNO4 S2)

Compound Name

2-[(5E)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid

IUPAC name

2-[(5E)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-2-phenylacetic acid

SMILES

OC(C(c1ccccc1)N(C(/C(/S1)=C\c2ccc(-c3cccc(Cl)c3)o2)=O)C1=S)=O

InChI

InChI=1S/C22H14ClNO4S2/c23-15-8-4-7-14(11-15)17-10-9-16(28-17)12-18-20(25)24(22(29)30-18)19(21(26)27)13-5-2-1-3-6-13/h1-12,19H,(H,26,27)/t19-/m1/s1

InChI Key

LFBIGAVOWOLUCI-LJQANCHMSA-N

MDL Number (MFCD)

MFCD04065173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.436

Distribution Coefficient, logD

2.329

Water Solubility, LogSw

-5.75

Polar Surface Area

51.381

Acid Dissociation Constant (pKa)

4.29

Base Dissociation Constant (pKb)

-4.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.50

6275-3814 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6275-3814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6275-3814?
Check Price and Availability of 6275-3814, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6275-3814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6275-3814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6275-3814
  • 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 6275-3814 available by request