D087-0565 Screening compound: N~3~-(2-methoxy-5-methylphenyl)-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide

D087-0565 Screening compound: N~3~-(2-methoxy-5-methylphenyl)-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide
D087-0565 Screening compound: N~3~-(2-methoxy-5-methylphenyl)-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D087-0565
N~3~-(2-methoxy-5-methylphenyl)-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide

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

D087-0565

Molecular Formula

C12H17NO5S2 (C12 H17 NO5 S2)

Compound Name

N~3~-(2-methoxy-5-methylphenyl)-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide

IUPAC name

N-(2-methoxy-5-methylphenyl)-11-dioxo-1lambda6-thiolane-3-sulfonamide

SMILES

Cc(cc1)cc(NS(C(CC2)CS2(=O)=O)(=O)=O)c1OC

InChI

InChI=1S/C12H17NO5S2/c1-9-3-4-12(18-2)11(7-9)13-20(16,17)10-5-6-19(14,15)8-10/h3-4,7,10,13H,5-6,8H2,1-2H3/t10-/m1/s1

InChI Key

VWSMBMNBRSQOAR-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD14811746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.844

Distribution Coefficient, logD

0.794

Water Solubility, LogSw

-2.12

Polar Surface Area

76.450

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

-8.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D087-0565 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with D087-0565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D087-0565?
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What is the minimum amount of D087-0565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D087-0565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D087-0565
  • 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 D087-0565 available by request