G636-0852 Screening compound: 1-(2-methoxyphenyl)-4-[1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine

G636-0852 Screening compound: 1-(2-methoxyphenyl)-4-[1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine
G636-0852 Screening compound: 1-(2-methoxyphenyl)-4-[1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G636-0852
1-(2-methoxyphenyl)-4-[1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine

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

G636-0852

Molecular Formula

C22H30N4O4S (C22 H30 N4 O4 S)

Compound Name

1-(2-methoxyphenyl)-4-[1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine

IUPAC name

1-(2-methoxyphenyl)-4-[1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine

SMILES

Cn1c(C(N(CC2)CCN2c(cccc2)c2OC)=O)cc(S(N2CCCCC2)(=O)=O)c1

InChI

InChI=1S/C22H30N4O4S/c1-23-17-18(31(28,29)26-10-6-3-7-11-26)16-20(23)22(27)25-14-12-24(13-15-25)19-8-4-5-9-21(19)30-2/h4-5,8-9,16-17H,3,6-7,10-15H2,1-2H3

InChI Key

WQNQSCGUKWNRMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27147005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.203

Distribution Coefficient, logD

2.203

Water Solubility, LogSw

-2.60

Polar Surface Area

61.497

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G636-0852 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G636-0852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G636-0852?
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What is the minimum amount of G636-0852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G636-0852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G636-0852
  • 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 G636-0852 available by request