D470-1782 Screening compound: (3S,4R)-3-[4-(3-chlorophenyl)piperazino]-4-(phenylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1782 Screening compound: (3S,4R)-3-[4-(3-chlorophenyl)piperazino]-4-(phenylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1782 Screening compound: (3S,4R)-3-[4-(3-chlorophenyl)piperazino]-4-(phenylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1782
(3S,4R)-3-[4-(3-chlorophenyl)piperazino]-4-(phenylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

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

D470-1782

Molecular Formula

C20H23ClN2O4S2 (C20 H23 ClN2 O4 S2)

Compound Name

(3S,4R)-3-[4-(3-chlorophenyl)piperazino]-4-(phenylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

(3R4S)-3-(benzenesulfonyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]-1lambda6-thiolane-11-dione

SMILES

O=S([C@@H](CS(C1)(=O)=O)[C@H]1N(CC1)CCN1c1cccc(Cl)c1)(c1ccccc1)=O

InChI

InChI=1S/C20H23ClN2O4S2/c21-16-5-4-6-17(13-16)22-9-11-23(12-10-22)19-14-28(24,25)15-20(19)29(26,27)18-7-2-1-3-8-18/h1-8,13,19-20H,9-12,14-15H2/t19-,20-/m0/s1

InChI Key

YKVKJZZCVULMDW-PMACEKPBSA-N

MDL Number (MFCD)

MFCD10042960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.113

Distribution Coefficient, logD

2.113

Water Solubility, LogSw

-2.79

Polar Surface Area

64.188

Acid Dissociation Constant (pKa)

18.89

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

D470-1782 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D470-1782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1782?
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What is the minimum amount of D470-1782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1782
  • 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 D470-1782 available by request