G636-0872 Screening compound: 2-[1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

G636-0872 Screening compound: 2-[1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline
G636-0872 Screening compound: 2-[1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound G636-0872
2-[1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

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

G636-0872

Molecular Formula

C20H25N3O3S (C20 H25 N3 O3 S)

Compound Name

2-[1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-1234-tetrahydroisoquinoline

SMILES

Cn1c(C(N(CC2)Cc3c2cccc3)=O)cc(S(N2CCCCC2)(=O)=O)c1

InChI

InChI=1S/C20H25N3O3S/c1-21-15-18(27(25,26)23-10-5-2-6-11-23)13-19(21)20(24)22-12-9-16-7-3-4-8-17(16)14-22/h3-4,7-8,13,15H,2,5-6,9-12,14H2,1H3

InChI Key

CQUHZWWLLCWRQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27147012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.437

Distribution Coefficient, logD

2.437

Water Solubility, LogSw

-2.70

Polar Surface Area

50.569

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

G636-0872 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G636-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G636-0872?
Check Price and Availability of G636-0872, 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 G636-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G636-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G636-0872
  • 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 G636-0872 available by request