G636-0876 Screening compound: N-(3-chloro-2-methylphenyl)-1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide

G636-0876 Screening compound: N-(3-chloro-2-methylphenyl)-1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
G636-0876 Screening compound: N-(3-chloro-2-methylphenyl)-1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G636-0876
N-(3-chloro-2-methylphenyl)-1-methyl-4-(piperidine-1-sulfonyl)-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

G636-0876

Molecular Formula

C18H22ClN3O3S (C18 H22 ClN3 O3 S)

Compound Name

N-(3-chloro-2-methylphenyl)-1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide

IUPAC name

N-(3-chloro-2-methylphenyl)-1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide

SMILES

Cc(c(NC(c1cc(S(N2CCCCC2)(=O)=O)cn1C)=O)ccc1)c1Cl

InChI

InChI=1S/C18H22ClN3O3S/c1-13-15(19)7-6-8-16(13)20-18(23)17-11-14(12-21(17)2)26(24,25)22-9-4-3-5-10-22/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,23)

InChI Key

IRUCCDYTVOTIBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27147014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.313

Distribution Coefficient, logD

3.282

Water Solubility, LogSw

-3.54

Polar Surface Area

56.653

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

G636-0876 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

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 G636-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G636-0876?
Check Price and Availability of G636-0876, 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 G636-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G636-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G636-0876
  • 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 G636-0876 available by request