D470-2008 Screening compound: (3R,4S)-3-[(4-methoxyphenyl)sulfonyl]-4-[(3-methylbenzyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-2008 Screening compound: (3R,4S)-3-[(4-methoxyphenyl)sulfonyl]-4-[(3-methylbenzyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-2008 Screening compound: (3R,4S)-3-[(4-methoxyphenyl)sulfonyl]-4-[(3-methylbenzyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-2008
(3R,4S)-3-[(4-methoxyphenyl)sulfonyl]-4-[(3-methylbenzyl)amino]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

D470-2008

Molecular Formula

C19H23NO5S2 (C19 H23 NO5 S2)

Compound Name

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

IUPAC name

(3R4S)-3-(4-methoxybenzenesulfonyl)-4-{[(3-methylphenyl)methyl]amino}-1lambda6-thiolane-11-dione

SMILES

Cc1cccc(CN[C@@H](CS(C2)(=O)=O)[C@H]2S(c(cc2)ccc2OC)(=O)=O)c1

InChI

InChI=1S/C19H23NO5S2/c1-14-4-3-5-15(10-14)11-20-18-12-26(21,22)13-19(18)27(23,24)17-8-6-16(25-2)7-9-17/h3-10,18-20H,11-13H2,1-2H3/t18-,19-/m1/s1

InChI Key

PWKGPTYNWRWFNQ-RTBURBONSA-N

MDL Number (MFCD)

MFCD10089116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.612

Distribution Coefficient, logD

1.612

Water Solubility, LogSw

-2.21

Polar Surface Area

77.392

Acid Dissociation Constant (pKa)

18.56

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.80

D470-2008 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D470-2008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-2008?
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What is the minimum amount of D470-2008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-2008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-2008
  • 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 D470-2008 available by request