D470-1965 Screening compound: (3S,4R)-3-[4-(2-fluorophenyl)piperazino]-4-[(4-fluorophenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1965 Screening compound: (3S,4R)-3-[4-(2-fluorophenyl)piperazino]-4-[(4-fluorophenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1965 Screening compound: (3S,4R)-3-[4-(2-fluorophenyl)piperazino]-4-[(4-fluorophenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1965
(3S,4R)-3-[4-(2-fluorophenyl)piperazino]-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

D470-1965

Molecular Formula

C20H22F2N2O4S2 (C20 H22 F2 N2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

O=S([C@@H](CS(C1)(=O)=O)[C@H]1N(CC1)CCN1c(cccc1)c1F)(c(cc1)ccc1F)=O

InChI

InChI=1S/C20H22F2N2O4S2/c21-15-5-7-16(8-6-15)30(27,28)20-14-29(25,26)13-19(20)24-11-9-23(10-12-24)18-4-2-1-3-17(18)22/h1-8,19-20H,9-14H2/t19-,20-/m1/s1

InChI Key

AMGXNRXCNSIYHY-WOJBJXKFSA-N

MDL Number (MFCD)

MFCD10089095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.53

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

1.922

Distribution Coefficient, logD

1.922

Water Solubility, LogSw

-2.43

Polar Surface Area

63.887

Acid Dissociation Constant (pKa)

18.89

Base Dissociation Constant (pKb)

4.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

D470-1965 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D470-1965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1965?
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What is the minimum amount of D470-1965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1965
  • 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 D470-1965 available by request