D470-2282 Screening compound: (3R,4S)-3-[(4-ethoxyphenyl)sulfonyl]-4-[(4-methylbenzyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-2282 Screening compound: (3R,4S)-3-[(4-ethoxyphenyl)sulfonyl]-4-[(4-methylbenzyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-2282 Screening compound: (3R,4S)-3-[(4-ethoxyphenyl)sulfonyl]-4-[(4-methylbenzyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-2282
(3R,4S)-3-[(4-ethoxyphenyl)sulfonyl]-4-[(4-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

D470-2282

Molecular Formula

C20H25NO5S2 (C20 H25 NO5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1S([C@@H](CS(C1)(=O)=O)[C@H]1NCc1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C20H25NO5S2/c1-3-26-17-8-10-18(11-9-17)28(24,25)20-14-27(22,23)13-19(20)21-12-16-6-4-15(2)5-7-16/h4-11,19-21H,3,12-14H2,1-2H3/t19-,20-/m1/s1

InChI Key

VOLNNEPYDBHYTR-WOJBJXKFSA-N

MDL Number (MFCD)

MFCD10089231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.734

Distribution Coefficient, logD

1.734

Water Solubility, LogSw

-2.44

Polar Surface Area

76.972

Acid Dissociation Constant (pKa)

18.56

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

D470-2282 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 D470-2282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-2282?
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What is the minimum amount of D470-2282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-2282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-2282
  • 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 D470-2282 available by request