D470-1804 Screening compound: (3S,4R)-3-(isopropylamino)-4-[(4-methylphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1804 Screening compound: (3S,4R)-3-(isopropylamino)-4-[(4-methylphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1804 Screening compound: (3S,4R)-3-(isopropylamino)-4-[(4-methylphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1804
(3S,4R)-3-(isopropylamino)-4-[(4-methylphenyl)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

D470-1804

Molecular Formula

C14H21NO4S2 (C14 H21 NO4 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N[C@@H](CS(C1)(=O)=O)[C@H]1S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C14H21NO4S2/c1-10(2)15-13-8-20(16,17)9-14(13)21(18,19)12-6-4-11(3)5-7-12/h4-7,10,13-15H,8-9H2,1-3H3/t13-,14-/m1/s1

InChI Key

BGWWIJHYNSHXNV-ZIAGYGMSSA-N

MDL Number (MFCD)

MFCD10042969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.46

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

1.205

Distribution Coefficient, logD

1.204

Water Solubility, LogSw

-2.15

Polar Surface Area

69.094

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.10

D470-1804 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 D470-1804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1804?
Check Price and Availability of D470-1804, 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 D470-1804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1804
  • 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 D470-1804 available by request