D470-2083 Screening compound: (3R,4S)-3-[(4-fluoro-3-methylphenyl)sulfonyl]-4-(1-pyrrolidinyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-2083 Screening compound: (3R,4S)-3-[(4-fluoro-3-methylphenyl)sulfonyl]-4-(1-pyrrolidinyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-2083 Screening compound: (3R,4S)-3-[(4-fluoro-3-methylphenyl)sulfonyl]-4-(1-pyrrolidinyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-2083
(3R,4S)-3-[(4-fluoro-3-methylphenyl)sulfonyl]-4-(1-pyrrolidinyl)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

D470-2083

Molecular Formula

C15H20FNO4S2 (C15 H20 FNO4 S2)

Compound Name

(3R,4S)-3-[(4-fluoro-3-methylphenyl)sulfonyl]-4-(1-pyrrolidinyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

(3R4S)-3-(4-fluoro-3-methylbenzenesulfonyl)-4-(pyrrolidin-1-yl)-1lambda6-thiolane-11-dione

SMILES

Cc(cc(cc1)S([C@@H](CS(C2)(=O)=O)[C@H]2N2CCCC2)(=O)=O)c1F

InChI

InChI=1S/C15H20FNO4S2/c1-11-8-12(4-5-13(11)16)23(20,21)15-10-22(18,19)9-14(15)17-6-2-3-7-17/h4-5,8,14-15H,2-3,6-7,9-10H2,1H3/t14-,15-/m1/s1

InChI Key

ASWXPZNHVXKUJW-HUUCEWRRSA-N

MDL Number (MFCD)

MFCD10089151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.904

Distribution Coefficient, logD

0.904

Water Solubility, LogSw

-2.14

Polar Surface Area

61.293

Acid Dissociation Constant (pKa)

18.89

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

D470-2083 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Nuclear receptors
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D470-2083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-2083?
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What is the minimum amount of D470-2083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-2083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-2083
  • 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 D470-2083 available by request