R152-2065 Screening compound: 5-(azepane-1-sulfonyl)-3-methyl-1-benzofuran-2-carboxylic acid

R152-2065 Screening compound: 5-(azepane-1-sulfonyl)-3-methyl-1-benzofuran-2-carboxylic acid
R152-2065 Screening compound: 5-(azepane-1-sulfonyl)-3-methyl-1-benzofuran-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R152-2065
5-(azepane-1-sulfonyl)-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

R152-2065

Molecular Formula

C16H19NO5S (C16 H19 NO5 S)

Compound Name

5-(azepane-1-sulfonyl)-3-methyl-1-benzofuran-2-carboxylic acid

IUPAC name

5-(azepane-1-sulfonyl)-3-methyl-1-benzofuran-2-carboxylic acid

SMILES

Cc1c(C(O)=O)oc(cc2)c1cc2S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C16H19NO5S/c1-11-13-10-12(6-7-14(13)22-15(11)16(18)19)23(20,21)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,18,19)

InChI Key

UVMNDVNSEONHFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

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

2.963

Distribution Coefficient, logD

-1.419

Water Solubility, LogSw

-3.06

Polar Surface Area

69.214

Acid Dissociation Constant (pKa)

3.02

Base Dissociation Constant (pKb)

-3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

R152-2065 in Drug Discovery

Included in Screening Libraries

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with R152-2065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R152-2065?
Check Price and Availability of R152-2065, 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 R152-2065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R152-2065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R152-2065
  • 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 R152-2065 available by request