G242-0649 Screening compound: N-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

G242-0649 Screening compound: N-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
G242-0649 Screening compound: N-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G242-0649
N-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

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

G242-0649

Molecular Formula

C21H29N3O3S (C21 H29 N3 O3 S)

Compound Name

N-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

IUPAC name

N-[(25-dimethylphenyl)methyl]-25-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

SMILES

Cc1c(C(N2CCCCC2)=O)c(S(NCc2c(C)ccc(C)c2)(=O)=O)c(C)[nH]1

InChI

InChI=1S/C21H29N3O3S/c1-14-8-9-15(2)18(12-14)13-22-28(26,27)20-17(4)23-16(3)19(20)21(25)24-10-6-5-7-11-24/h8-9,12,22-23H,5-7,10-11,13H2,1-4H3

InChI Key

VDMIHRTUOCVVJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14989745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.687

Distribution Coefficient, logD

3.680

Water Solubility, LogSw

-3.92

Polar Surface Area

69.433

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

G242-0649 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 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 G242-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G242-0649?
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What is the minimum amount of G242-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G242-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G242-0649
  • 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 G242-0649 available by request