D470-0055 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-ethyl-2-methyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

D470-0055 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-ethyl-2-methyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide
D470-0055 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-ethyl-2-methyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0055
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-ethyl-2-methyl-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

D470-0055

Molecular Formula

C16H22N2O7S3 (C16 H22 N2 O7 S3)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(CC1)CS1(=O)=O)S(c1c(C)ccc(N(C(CC2)=O)S2(=O)=O)c1)(=O)=O

InChI

InChI=1S/C16H22N2O7S3/c1-3-17(14-6-8-26(20,21)11-14)28(24,25)15-10-13(5-4-12(15)2)18-16(19)7-9-27(18,22)23/h4-5,10,14H,3,6-9,11H2,1-2H3/t14-/m0/s1

InChI Key

BKFNGWQKVJBVAJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD10042763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.298

Distribution Coefficient, logD

-0.298

Water Solubility, LogSw

-1.92

Polar Surface Area

105.476

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

-7.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

D470-0055 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 D470-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0055?
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What is the minimum amount of D470-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0055
  • 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 D470-0055 available by request