D087-0541 Screening compound: 1,1-dioxo-N~3~-(2-propoxyphenyl)tetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide

D087-0541 Screening compound: 1,1-dioxo-N~3~-(2-propoxyphenyl)tetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide
D087-0541 Screening compound: 1,1-dioxo-N~3~-(2-propoxyphenyl)tetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D087-0541
1,1-dioxo-N~3~-(2-propoxyphenyl)tetrahydro-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

D087-0541

Molecular Formula

C13H19NO5S2 (C13 H19 NO5 S2)

Compound Name

1,1-dioxo-N~3~-(2-propoxyphenyl)tetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide

IUPAC name

11-dioxo-N-(2-propoxyphenyl)-1lambda6-thiolane-3-sulfonamide

SMILES

CCCOc(cccc1)c1NS(C(CC1)CS1(=O)=O)(=O)=O

InChI

InChI=1S/C13H19NO5S2/c1-2-8-19-13-6-4-3-5-12(13)14-21(17,18)11-7-9-20(15,16)10-11/h3-6,11,14H,2,7-10H2,1H3

InChI Key

ZCXCQTOWQQAZTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09058327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.732

Distribution Coefficient, logD

1.662

Water Solubility, LogSw

-2.33

Polar Surface Area

76.324

Acid Dissociation Constant (pKa)

8.15

Base Dissociation Constant (pKb)

-8.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

D087-0541 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D087-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D087-0541?
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What is the minimum amount of D087-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D087-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D087-0541
  • 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 D087-0541 available by request