8002-4558 Screening compound: 2,3-bis(4-chlorophenyl)-5-{(E)-1-[4-(dimethylamino)phenyl]methylidene}-1lambda~6~,3-thiazolane-1,1,4-trione

8002-4558 Screening compound: 2,3-bis(4-chlorophenyl)-5-{(E)-1-[4-(dimethylamino)phenyl]methylidene}-1lambda~6~,3-thiazolane-1,1,4-trione
8002-4558 Screening compound: 2,3-bis(4-chlorophenyl)-5-{(E)-1-[4-(dimethylamino)phenyl]methylidene}-1lambda~6~,3-thiazolane-1,1,4-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-4558
2,3-bis(4-chlorophenyl)-5-{(E)-1-[4-(dimethylamino)phenyl]methylidene}-1lambda~6~,3-thiazolane-1,1,4-trione

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

8002-4558

Molecular Formula

C24H20Cl2N2O3S (C24 H20 Cl2 N2 O3 S)

Compound Name

2,3-bis(4-chlorophenyl)-5-{(E)-1-[4-(dimethylamino)phenyl]methylidene}-1lambda~6~,3-thiazolane-1,1,4-trione

IUPAC name

(5E)-23-bis(4-chlorophenyl)-5-{[4-(dimethylamino)phenyl]methylidene}-1lambda63-thiazolidine-114-trione

SMILES

CN(C)c1ccc(/C=C(\C(N(C2c(cc3)ccc3Cl)c(cc3)ccc3Cl)=O)/S2(=O)=O)cc1

InChI

InChI=1S/C24H20Cl2N2O3S/c1-27(2)20-11-3-16(4-12-20)15-22-23(29)28(21-13-9-19(26)10-14-21)24(32(22,30)31)17-5-7-18(25)8-6-17/h3-15,24H,1-2H3/t24-/m0/s1

InChI Key

WUKBYBKESHGEBE-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD00472530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.310

Distribution Coefficient, logD

5.310

Water Solubility, LogSw

-6.16

Polar Surface Area

47.342

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

8002-4558 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8002-4558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-4558?
Check Price and Availability of 8002-4558, 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 8002-4558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-4558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-4558
  • 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 8002-4558 available by request