D087-0020 Screening compound: N~3~-butyl-N~3~-methyl-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide

D087-0020 Screening compound: N~3~-butyl-N~3~-methyl-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide
D087-0020 Screening compound: N~3~-butyl-N~3~-methyl-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D087-0020
N~3~-butyl-N~3~-methyl-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

D087-0020

Molecular Formula

C9H19NO4S2 (C9 H19 NO4 S2)

Compound Name

N~3~-butyl-N~3~-methyl-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide

IUPAC name

N-butyl-N-methyl-11-dioxo-1lambda6-thiolane-3-sulfonamide

SMILES

CCCCN(C)S(C(CC1)CS1(=O)=O)(=O)=O

InChI

InChI=1S/C9H19NO4S2/c1-3-4-6-10(2)16(13,14)9-5-7-15(11,12)8-9/h9H,3-8H2,1-2H3/t9-/m1/s1

InChI Key

ILYXSQOBYMHQKY-SECBINFHSA-N

MDL Number (MFCD)

MFCD08144062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.476

Distribution Coefficient, logD

0.476

Water Solubility, LogSw

-0.88

Polar Surface Area

61.682

Acid Dissociation Constant (pKa)

19.44

Base Dissociation Constant (pKb)

-7.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

100.00

D087-0020 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Nuclear receptors
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D087-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D087-0020?
Check Price and Availability of D087-0020, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D087-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D087-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D087-0020
  • 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 D087-0020 available by request