D470-2241 Screening compound: (3R,4S)-3-[(4-chlorophenyl)sulfonyl]-4-[4-(2-pyridyl)piperazino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-2241 Screening compound: (3R,4S)-3-[(4-chlorophenyl)sulfonyl]-4-[4-(2-pyridyl)piperazino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-2241 Screening compound: (3R,4S)-3-[(4-chlorophenyl)sulfonyl]-4-[4-(2-pyridyl)piperazino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-2241
(3R,4S)-3-[(4-chlorophenyl)sulfonyl]-4-[4-(2-pyridyl)piperazino]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

D470-2241

Molecular Formula

C19H22ClN3O4S2 (C19 H22 ClN3 O4 S2)

Compound Name

(3R,4S)-3-[(4-chlorophenyl)sulfonyl]-4-[4-(2-pyridyl)piperazino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

(3R4S)-3-(4-chlorobenzenesulfonyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]-1lambda6-thiolane-11-dione

SMILES

O=S([C@@H](CS(C1)(=O)=O)[C@H]1N(CC1)CCN1c1ncccc1)(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C19H22ClN3O4S2/c20-15-4-6-16(7-5-15)29(26,27)18-14-28(24,25)13-17(18)22-9-11-23(12-10-22)19-3-1-2-8-21-19/h1-8,17-18H,9-14H2/t17-,18-/m0/s1

InChI Key

AEHOJGYEMSGNDF-ROUUACIJSA-N

MDL Number (MFCD)

MFCD12922120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.99

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.977

Distribution Coefficient, logD

1.956

Water Solubility, LogSw

-2.43

Polar Surface Area

72.699

Acid Dissociation Constant (pKa)

18.89

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.10

D470-2241 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with D470-2241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-2241?
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What is the minimum amount of D470-2241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-2241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-2241
  • 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 D470-2241 available by request