D470-1761 Screening compound: (3S,4R)-3-(4-phenylpiperazino)-4-(phenylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1761 Screening compound: (3S,4R)-3-(4-phenylpiperazino)-4-(phenylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1761 Screening compound: (3S,4R)-3-(4-phenylpiperazino)-4-(phenylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1761
(3S,4R)-3-(4-phenylpiperazino)-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

D470-1761

Molecular Formula

C20H24N2O4S2 (C20 H24 N2 O4 S2)

Compound Name

(3S,4R)-3-(4-phenylpiperazino)-4-(phenylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

(3R4S)-3-(benzenesulfonyl)-4-(4-phenylpiperazin-1-yl)-1lambda6-thiolane-11-dione

SMILES

O=S([C@@H](CS(C1)(=O)=O)[C@H]1N(CC1)CCN1c1ccccc1)(c1ccccc1)=O

InChI

InChI=1S/C20H24N2O4S2/c23-27(24)15-19(20(16-27)28(25,26)18-9-5-2-6-10-18)22-13-11-21(12-14-22)17-7-3-1-4-8-17/h1-10,19-20H,11-16H2/t19-,20-/m1/s1

InChI Key

PJDYSRNYOUHWLF-WOJBJXKFSA-N

MDL Number (MFCD)

MFCD10042948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.55

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

1.529

Distribution Coefficient, logD

1.529

Water Solubility, LogSw

-2.09

Polar Surface Area

64.188

Acid Dissociation Constant (pKa)

18.89

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

D470-1761 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Others
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with D470-1761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1761?
Check Price and Availability of D470-1761, 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 D470-1761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1761
  • 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 D470-1761 available by request