C153-0652 Screening compound: N-benzyl-3-methyl-5-(pyrrolidine-1-sulfonyl)-1-benzofuran-2-carboxamide

C153-0652 Screening compound: N-benzyl-3-methyl-5-(pyrrolidine-1-sulfonyl)-1-benzofuran-2-carboxamide
C153-0652 Screening compound: N-benzyl-3-methyl-5-(pyrrolidine-1-sulfonyl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C153-0652
N-benzyl-3-methyl-5-(pyrrolidine-1-sulfonyl)-1-benzofuran-2-carboxamide

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

C153-0652

Molecular Formula

C21H22N2O4S (C21 H22 N2 O4 S)

Compound Name

N-benzyl-3-methyl-5-(pyrrolidine-1-sulfonyl)-1-benzofuran-2-carboxamide

IUPAC name

N-benzyl-3-methyl-5-(pyrrolidine-1-sulfonyl)-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(NCc2ccccc2)=O)oc(cc2)c1cc2S(N1CCCC1)(=O)=O

InChI

InChI=1S/C21H22N2O4S/c1-15-18-13-17(28(25,26)23-11-5-6-12-23)9-10-19(18)27-20(15)21(24)22-14-16-7-3-2-4-8-16/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,22,24)

InChI Key

SOTIYADZYUUCGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.690

Distribution Coefficient, logD

3.690

Water Solubility, LogSw

-3.95

Polar Surface Area

65.255

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C153-0652 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C153-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C153-0652?
Check Price and Availability of C153-0652, 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 C153-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C153-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C153-0652
  • 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 C153-0652 available by request