G636-1658 Screening compound: 2-{1-methyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline

G636-1658 Screening compound: 2-{1-methyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline
G636-1658 Screening compound: 2-{1-methyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound G636-1658
2-{1-methyl-4-[(3-methylpiperidin-1-yl)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

G636-1658

Molecular Formula

C21H27N3O3S (C21 H27 N3 O3 S)

Compound Name

2-{1-methyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{1-methyl-4-[(3-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-carbonyl}-1234-tetrahydroisoquinoline

SMILES

CC(CCC1)CN1S(c1cn(C)c(C(N(CC2)Cc3c2cccc3)=O)c1)(=O)=O

InChI

InChI=1S/C21H27N3O3S/c1-16-6-5-10-24(13-16)28(26,27)19-12-20(22(2)15-19)21(25)23-11-9-17-7-3-4-8-18(17)14-23/h3-4,7-8,12,15-16H,5-6,9-11,13-14H2,1-2H3/t16-/m0/s1

InChI Key

ZPSVMUIIPNJEPS-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27147132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.53

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

2.742

Distribution Coefficient, logD

2.742

Water Solubility, LogSw

-3.21

Polar Surface Area

50.503

Acid Dissociation Constant (pKa)

25.67

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

G636-1658 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G636-1658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G636-1658?
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What is the minimum amount of G636-1658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G636-1658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G636-1658
  • 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 G636-1658 available by request