D470-1857 Screening compound: 4-[2-({(3S,4R)-4-[(4-methylphenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}amino)ethyl]-1-benzenesulfonamide

D470-1857 Screening compound: 4-[2-({(3S,4R)-4-[(4-methylphenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}amino)ethyl]-1-benzenesulfonamide
D470-1857 Screening compound: 4-[2-({(3S,4R)-4-[(4-methylphenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}amino)ethyl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1857
4-[2-({(3S,4R)-4-[(4-methylphenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}amino)ethyl]-1-benzenesulfonamide

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

D470-1857

Molecular Formula

C19H24N2O6S3 (C19 H24 N2 O6 S3)

Compound Name

4-[2-({(3S,4R)-4-[(4-methylphenyl)sulfonyl]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl}amino)ethyl]-1-benzenesulfonamide

IUPAC name

4-(2-{[(3S4R)-4-(4-methylbenzenesulfonyl)-11-dioxo-1lambda6-thiolan-3-yl]amino}ethyl)benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S([C@@H](CS(C1)(=O)=O)[C@H]1NCCc(cc1)ccc1S(N)(=O)=O)(=O)=O

InChI

InChI=1S/C19H24N2O6S3/c1-14-2-6-16(7-3-14)29(24,25)19-13-28(22,23)12-18(19)21-11-10-15-4-8-17(9-5-15)30(20,26)27/h2-9,18-19,21H,10-13H2,1H3,(H2,20,26,27)/t18-,19-/m1/s1

InChI Key

DUXHCXCCQRWIQD-RTBURBONSA-N

MDL Number (MFCD)

MFCD10043001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.109

Distribution Coefficient, logD

-0.110

Water Solubility, LogSw

-1.78

Polar Surface Area

120.293

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.80

D470-1857 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D470-1857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1857?
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What is the minimum amount of D470-1857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1857
  • 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 D470-1857 available by request