D470-1942 Screening compound: (3S,4R)-3-(4-benzylpiperazino)-4-[(4-fluorophenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1942 Screening compound: (3S,4R)-3-(4-benzylpiperazino)-4-[(4-fluorophenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1942 Screening compound: (3S,4R)-3-(4-benzylpiperazino)-4-[(4-fluorophenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1942
(3S,4R)-3-(4-benzylpiperazino)-4-[(4-fluorophenyl)sulfonyl]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

D470-1942

Molecular Formula

C21H25FN2O4S2 (C21 H25 FN2 O4 S2)

Compound Name

(3S,4R)-3-(4-benzylpiperazino)-4-[(4-fluorophenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

(3S4R)-3-(4-benzylpiperazin-1-yl)-4-(4-fluorobenzenesulfonyl)-1lambda6-thiolane-11-dione

SMILES

O=S([C@@H](CS(C1)(=O)=O)[C@H]1N1CCN(Cc2ccccc2)CC1)(c(cc1)ccc1F)=O

InChI

InChI=1S/C21H25FN2O4S2/c22-18-6-8-19(9-7-18)30(27,28)21-16-29(25,26)15-20(21)24-12-10-23(11-13-24)14-17-4-2-1-3-5-17/h1-9,20-21H,10-16H2/t20-,21-/m1/s1

InChI Key

AGUVLISVKMVYPE-NHCUHLMSSA-N

MDL Number (MFCD)

MFCD10089080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.424

Distribution Coefficient, logD

1.404

Water Solubility, LogSw

-2.24

Polar Surface Area

64.468

Acid Dissociation Constant (pKa)

18.89

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

D470-1942 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D470-1942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1942?
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What is the minimum amount of D470-1942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1942
  • 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 D470-1942 available by request