D470-1990 Screening compound: (3S,4R)-3-(isobutylamino)-4-[(4-methoxyphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1990 Screening compound: (3S,4R)-3-(isobutylamino)-4-[(4-methoxyphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1990 Screening compound: (3S,4R)-3-(isobutylamino)-4-[(4-methoxyphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1990
(3S,4R)-3-(isobutylamino)-4-[(4-methoxyphenyl)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

D470-1990

Molecular Formula

C15H23NO5S2 (C15 H23 NO5 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN[C@@H](CS(C1)(=O)=O)[C@H]1S(c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C15H23NO5S2/c1-11(2)8-16-14-9-22(17,18)10-15(14)23(19,20)13-6-4-12(21-3)5-7-13/h4-7,11,14-16H,8-10H2,1-3H3/t14-,15-/m1/s1

InChI Key

ABEXAXKRJNBANO-HUUCEWRRSA-N

MDL Number (MFCD)

MFCD10089107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.902

Distribution Coefficient, logD

0.901

Water Solubility, LogSw

-2.12

Polar Surface Area

77.664

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

D470-1990 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 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
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D470-1990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1990?
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What is the minimum amount of D470-1990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1990
  • 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 D470-1990 available by request