5712-0051 Screening compound: 3-(2-carboxyethanesulfonyl)propanoic acid

5712-0051 Screening compound: 3-(2-carboxyethanesulfonyl)propanoic acid
5712-0051 Screening compound: 3-(2-carboxyethanesulfonyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5712-0051
3-(2-carboxyethanesulfonyl)propanoic 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

5712-0051

Molecular Formula

C6H10O6S (C6 H10 O6 S)

Compound Name

3-(2-carboxyethanesulfonyl)propanoic acid

IUPAC name

3-(2-carboxyethanesulfonyl)propanoic acid

SMILES

OC(CCS(CCC(O)=O)(=O)=O)=O

InChI

InChI=1S/C6H10O6S/c7-5(8)1-3-13(11,12)4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)

InChI Key

FBFBNGJZFXSFFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00856376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

210.21

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-2.203

Distribution Coefficient, logD

-6.068

Water Solubility, LogSw

-0.60

Polar Surface Area

85.578

Acid Dissociation Constant (pKa)

3.53

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

5712-0051 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with 5712-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5712-0051?
Check Price and Availability of 5712-0051, 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 5712-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5712-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5712-0051
  • 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 5712-0051 available by request