D470-2314 Screening compound: (3S,4R)-3-[(4-chlorophenethyl)amino]-4-[(4-ethoxyphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-2314 Screening compound: (3S,4R)-3-[(4-chlorophenethyl)amino]-4-[(4-ethoxyphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-2314 Screening compound: (3S,4R)-3-[(4-chlorophenethyl)amino]-4-[(4-ethoxyphenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-2314
(3S,4R)-3-[(4-chlorophenethyl)amino]-4-[(4-ethoxyphenyl)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

D470-2314

Molecular Formula

C20H24ClNO5S2 (C20 H24 ClNO5 S2)

Compound Name

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

IUPAC name

(3S4R)-3-{[2-(4-chlorophenyl)ethyl]amino}-4-(4-ethoxybenzenesulfonyl)-1lambda6-thiolane-11-dione

SMILES

CCOc(cc1)ccc1S([C@@H](CS(C1)(=O)=O)[C@H]1NCCc(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C20H24ClNO5S2/c1-2-27-17-7-9-18(10-8-17)29(25,26)20-14-28(23,24)13-19(20)22-12-11-15-3-5-16(21)6-4-15/h3-10,19-20,22H,2,11-14H2,1H3/t19-,20-/m0/s1

InChI Key

FRSZTJJJTWRLKF-PMACEKPBSA-N

MDL Number (MFCD)

MFCD10089246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.070

Distribution Coefficient, logD

2.070

Water Solubility, LogSw

-2.79

Polar Surface Area

76.814

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

D470-2314 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D470-2314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-2314?
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What is the minimum amount of D470-2314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-2314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-2314
  • 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 D470-2314 available by request