C153-0653 Screening compound: N-butyl-3-methyl-5-(pyrrolidine-1-sulfonyl)-1-benzofuran-2-carboxamide

C153-0653 Screening compound: N-butyl-3-methyl-5-(pyrrolidine-1-sulfonyl)-1-benzofuran-2-carboxamide
C153-0653 Screening compound: N-butyl-3-methyl-5-(pyrrolidine-1-sulfonyl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C153-0653
N-butyl-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

C153-0653

Molecular Formula

C18H24N2O4S (C18 H24 N2 O4 S)

Compound Name

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

IUPAC name

n/a

SMILES

CCCCNC(c1c(C)c(cc(cc2)S(N3CCCC3)(=O)=O)c2o1)=O

InChI

InChI=1S/C18H24N2O4S/c1-3-4-9-19-18(21)17-13(2)15-12-14(7-8-16(15)24-17)25(22,23)20-10-5-6-11-20/h7-8,12H,3-6,9-11H2,1-2H3,(H,19,21)

InChI Key

SQSGLDCRWINDFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.502

Distribution Coefficient, logD

3.502

Water Solubility, LogSw

-3.79

Polar Surface Area

65.368

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C153-0653 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C153-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C153-0653?
Check Price and Availability of C153-0653, 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 C153-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C153-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C153-0653
  • 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 C153-0653 available by request