D470-2081 Screening compound: (3R,4S)-3-[(4-fluoro-3-methylphenyl)sulfonyl]-4-(isobutylamino)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-2081 Screening compound: (3R,4S)-3-[(4-fluoro-3-methylphenyl)sulfonyl]-4-(isobutylamino)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-2081 Screening compound: (3R,4S)-3-[(4-fluoro-3-methylphenyl)sulfonyl]-4-(isobutylamino)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-2081
(3R,4S)-3-[(4-fluoro-3-methylphenyl)sulfonyl]-4-(isobutylamino)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

D470-2081

Molecular Formula

C15H22FNO4S2 (C15 H22 FNO4 S2)

Compound Name

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

IUPAC name

(3R4S)-3-(4-fluoro-3-methylbenzenesulfonyl)-4-[(2-methylpropyl)amino]-1lambda6-thiolane-11-dione

SMILES

CC(C)CN[C@@H](CS(C1)(=O)=O)[C@H]1S(c(cc1)cc(C)c1F)(=O)=O

InChI

InChI=1S/C15H22FNO4S2/c1-10(2)7-17-14-8-22(18,19)9-15(14)23(20,21)12-4-5-13(16)11(3)6-12/h4-6,10,14-15,17H,7-9H2,1-3H3/t14-,15-/m1/s1

InChI Key

RKPQREYRRWFRCF-HUUCEWRRSA-N

MDL Number (MFCD)

MFCD10089149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.311

Distribution Coefficient, logD

1.310

Water Solubility, LogSw

-2.27

Polar Surface Area

70.120

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

D470-2081 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Ion Channels Focused Library (26372 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
  • Nervous system
  • Cardiovascular
Targets:
  • Nuclear receptors
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D470-2081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-2081?
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What is the minimum amount of D470-2081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-2081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-2081
  • 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 D470-2081 available by request