8013-0061 Screening compound: 4-(5-bromothiophene-2-sulfonamido)butanoic acid

8013-0061 Screening compound: 4-(5-bromothiophene-2-sulfonamido)butanoic acid
8013-0061 Screening compound: 4-(5-bromothiophene-2-sulfonamido)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0061
4-(5-bromothiophene-2-sulfonamido)butanoic acid

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

8013-0061

Molecular Formula

C8H10BrNO4S2 (C8 H10 BrNO4 S2)

Compound Name

4-(5-bromothiophene-2-sulfonamido)butanoic acid

IUPAC name

4-(5-bromothiophene-2-sulfonamido)butanoic acid

SMILES

OC(CCCNS(c(s1)ccc1Br)(=O)=O)=O

InChI

InChI=1S/C8H10BrNO4S2/c9-6-3-4-8(15-6)16(13,14)10-5-1-2-7(11)12/h3-4,10H,1-2,5H2,(H,11,12)

InChI Key

HCNFPCOIVUHVEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03196968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.21

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.390

Distribution Coefficient, logD

-1.438

Water Solubility, LogSw

-2.01

Polar Surface Area

71.512

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

8013-0061 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8013-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0061?
Check Price and Availability of 8013-0061, 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 8013-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0061
  • 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 8013-0061 available by request