D470-0041 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~,2-dimethyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

D470-0041 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~,2-dimethyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide
D470-0041 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~,2-dimethyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0041
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~,2-dimethyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-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

D470-0041

Molecular Formula

C15H20N2O7S3 (C15 H20 N2 O7 S3)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~,2-dimethyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-N2-dimethyl-5-(113-trioxo-1lambda62-thiazolidin-2-yl)benzene-1-sulfonamide

SMILES

Cc(ccc(N(C(CC1)=O)S1(=O)=O)c1)c1S(N(C)C(CC1)CS1(=O)=O)(=O)=O

InChI

InChI=1S/C15H20N2O7S3/c1-11-3-4-12(17-15(18)6-8-26(17,21)22)9-14(11)27(23,24)16(2)13-5-7-25(19,20)10-13/h3-4,9,13H,5-8,10H2,1-2H3/t13-/m0/s1

InChI Key

AJRKTCXKKWWUEG-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD10042753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.504

Distribution Coefficient, logD

-0.504

Water Solubility, LogSw

-1.92

Polar Surface Area

106.747

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

-7.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

D470-0041 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D470-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0041?
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What is the minimum amount of D470-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0041
  • 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 D470-0041 available by request