D087-0572 Screening compound: 1,1-dioxo-N~3~-(1,3-thiazol-2-yl)tetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide

D087-0572 Screening compound: 1,1-dioxo-N~3~-(1,3-thiazol-2-yl)tetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide
D087-0572 Screening compound: 1,1-dioxo-N~3~-(1,3-thiazol-2-yl)tetrahydro-1H-1lambda~6~-thiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D087-0572
1,1-dioxo-N~3~-(1,3-thiazol-2-yl)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

D087-0572

Molecular Formula

C7H10N2O4S3 (C7 H10 N2 O4 S3)

Compound Name

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

IUPAC name

11-dioxo-N-(13-thiazol-2-yl)-1lambda6-thiolane-3-sulfonamide

SMILES

O=S(C(CC1)CS1(=O)=O)(Nc1nccs1)=O

InChI

InChI=1S/C7H10N2O4S3/c10-15(11)4-1-6(5-15)16(12,13)9-7-8-2-3-14-7/h2-3,6H,1,4-5H2,(H,8,9)/t6-/m1/s1

InChI Key

FOSOXLVRLSXDNS-ZCFIWIBFSA-N

MDL Number (MFCD)

MFCD09058330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.165

Distribution Coefficient, logD

-0.638

Water Solubility, LogSw

-1.99

Polar Surface Area

79.996

Acid Dissociation Constant (pKa)

7.11

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

D087-0572 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D087-0572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D087-0572?
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What is the minimum amount of D087-0572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D087-0572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D087-0572
  • 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 D087-0572 available by request