R299-0005 Screening compound: 3-(4-chlorobenzenesulfonyl)propanoic acid

R299-0005 Screening compound: 3-(4-chlorobenzenesulfonyl)propanoic acid
R299-0005 Screening compound: 3-(4-chlorobenzenesulfonyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R299-0005
3-(4-chlorobenzenesulfonyl)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

R299-0005

Molecular Formula

C9H9ClO4S (C9 H9 ClO4 S)

Compound Name

3-(4-chlorobenzenesulfonyl)propanoic acid

IUPAC name

3-(4-chlorobenzenesulfonyl)propanoic acid

SMILES

OC(CCS(c(cc1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C9H9ClO4S/c10-7-1-3-8(4-2-7)15(13,14)6-5-9(11)12/h1-4H,5-6H2,(H,11,12)

InChI Key

ZEYRBFCQZXZIQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00278360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.086

Distribution Coefficient, logD

-2.506

Water Solubility, LogSw

-2.37

Polar Surface Area

57.659

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

R299-0005 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with R299-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R299-0005?
Check Price and Availability of R299-0005, 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 R299-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R299-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R299-0005
  • 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 R299-0005 available by request