D470-1896 Screening compound: (3S,4R)-3-(cyclopropylamino)-4-[(4-fluorophenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1896 Screening compound: (3S,4R)-3-(cyclopropylamino)-4-[(4-fluorophenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1896 Screening compound: (3S,4R)-3-(cyclopropylamino)-4-[(4-fluorophenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1896
(3S,4R)-3-(cyclopropylamino)-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

D470-1896

Molecular Formula

C13H16FNO4S2 (C13 H16 FNO4 S2)

Compound Name

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

IUPAC name

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

SMILES

O=S([C@@H](CS(C1)(=O)=O)[C@H]1NC1CC1)(c(cc1)ccc1F)=O

InChI

InChI=1S/C13H16FNO4S2/c14-9-1-5-11(6-2-9)21(18,19)13-8-20(16,17)7-12(13)15-10-3-4-10/h1-2,5-6,10,12-13,15H,3-4,7-8H2/t12-,13-/m1/s1

InChI Key

PBVVXCNUCZRLMZ-CHWSQXEVSA-N

MDL Number (MFCD)

MFCD10089046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.628

Distribution Coefficient, logD

0.628

Water Solubility, LogSw

-2.07

Polar Surface Area

69.905

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.80

D470-1896 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D470-1896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1896?
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What is the minimum amount of D470-1896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1896
  • 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 D470-1896 available by request