2418-0600 Screening compound: N-(2-chlorobenzenesulfonyl)-1-methyl-1H-pyrrole-2-carboxamide

2418-0600 Screening compound: N-(2-chlorobenzenesulfonyl)-1-methyl-1H-pyrrole-2-carboxamide
2418-0600 Screening compound: N-(2-chlorobenzenesulfonyl)-1-methyl-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2418-0600
N-(2-chlorobenzenesulfonyl)-1-methyl-1H-pyrrole-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

2418-0600

Molecular Formula

C12H11ClN2O3S (C12 H11 ClN2 O3 S)

Compound Name

N-(2-chlorobenzenesulfonyl)-1-methyl-1H-pyrrole-2-carboxamide

IUPAC name

N-(2-chlorobenzenesulfonyl)-1-methyl-1H-pyrrole-2-carboxamide

SMILES

Cn1c(C(NS(c(cccc2)c2Cl)(=O)=O)=O)ccc1

InChI

InChI=1S/C12H11ClN2O3S/c1-15-8-4-6-10(15)12(16)14-19(17,18)11-7-3-2-5-9(11)13/h2-8H,1H3,(H,14,16)

InChI Key

OBBHIUSCNTVXPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00588270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.203

Distribution Coefficient, logD

-2.106

Water Solubility, LogSw

-2.96

Polar Surface Area

57.484

Acid Dissociation Constant (pKa)

3.09

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

2418-0600 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2418-0600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2418-0600?
Check Price and Availability of 2418-0600, 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 2418-0600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2418-0600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2418-0600
  • 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 2418-0600 available by request