R152-2089 Screening compound: 5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid

R152-2089 Screening compound: 5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid
R152-2089 Screening compound: 5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R152-2089
5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic 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

R152-2089

Molecular Formula

C14H17NO5S (C14 H17 NO5 S)

Compound Name

5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid

IUPAC name

5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxylic acid

SMILES

CCN(CC)S(c(cc1)cc2c1oc(C(O)=O)c2C)(=O)=O

InChI

InChI=1S/C14H17NO5S/c1-4-15(5-2)21(18,19)10-6-7-12-11(8-10)9(3)13(20-12)14(16)17/h6-8H,4-5H2,1-3H3,(H,16,17)

InChI Key

OTZHXCCMICWGTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.294

Distribution Coefficient, logD

-2.088

Water Solubility, LogSw

-2.38

Polar Surface Area

68.269

Acid Dissociation Constant (pKa)

3.02

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

R152-2089 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with R152-2089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R152-2089?
Check Price and Availability of R152-2089, 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 R152-2089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R152-2089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R152-2089
  • 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 R152-2089 available by request