D470-2129 Screening compound: (3R,4S)-3-[(4-fluoro-3-methylphenyl)sulfonyl]-4-{[2-(1H-indol-3-yl)ethyl]amino}tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-2129 Screening compound: (3R,4S)-3-[(4-fluoro-3-methylphenyl)sulfonyl]-4-{[2-(1H-indol-3-yl)ethyl]amino}tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-2129 Screening compound: (3R,4S)-3-[(4-fluoro-3-methylphenyl)sulfonyl]-4-{[2-(1H-indol-3-yl)ethyl]amino}tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-2129
(3R,4S)-3-[(4-fluoro-3-methylphenyl)sulfonyl]-4-{[2-(1H-indol-3-yl)ethyl]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

D470-2129

Molecular Formula

C21H23FN2O4S2 (C21 H23 FN2 O4 S2)

Compound Name

(3R,4S)-3-[(4-fluoro-3-methylphenyl)sulfonyl]-4-{[2-(1H-indol-3-yl)ethyl]amino}tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

(3R4S)-3-(4-fluoro-3-methylbenzenesulfonyl)-4-{[2-(1H-indol-3-yl)ethyl]amino}-1lambda6-thiolane-11-dione

SMILES

Cc(cc(cc1)S([C@@H](CS(C2)(=O)=O)[C@H]2NCCc2c[nH]c3c2cccc3)(=O)=O)c1F

InChI

InChI=1S/C21H23FN2O4S2/c1-14-10-16(6-7-18(14)22)30(27,28)21-13-29(25,26)12-20(21)23-9-8-15-11-24-19-5-3-2-4-17(15)19/h2-7,10-11,20-21,23-24H,8-9,12-13H2,1H3/t20-,21-/m1/s1

InChI Key

GIIOHVYOXYGJNX-NHCUHLMSSA-N

MDL Number (MFCD)

MFCD10089181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.849

Distribution Coefficient, logD

1.849

Water Solubility, LogSw

-2.54

Polar Surface Area

79.561

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

D470-2129 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D470-2129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-2129?
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What is the minimum amount of D470-2129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-2129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-2129
  • 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 D470-2129 available by request