G636-1398 Screening compound: methyl 4-{1-methyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-amido}benzoate

G636-1398 Screening compound: methyl 4-{1-methyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-amido}benzoate
G636-1398 Screening compound: methyl 4-{1-methyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G636-1398
methyl 4-{1-methyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-amido}benzoate

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

G636-1398

Molecular Formula

C20H25N3O5S (C20 H25 N3 O5 S)

Compound Name

methyl 4-{1-methyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-amido}benzoate

IUPAC name

methyl 4-{1-methyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-amido}benzoate

SMILES

CC(CC1)CCN1S(c1cn(C)c(C(Nc(cc2)ccc2C(OC)=O)=O)c1)(=O)=O

InChI

InChI=1S/C20H25N3O5S/c1-14-8-10-23(11-9-14)29(26,27)17-12-18(22(2)13-17)19(24)21-16-6-4-15(5-7-16)20(25)28-3/h4-7,12-14H,8-11H2,1-3H3,(H,21,24)

InChI Key

HXJDYZFSJGPBAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27147101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.873

Distribution Coefficient, logD

2.861

Water Solubility, LogSw

-3.55

Polar Surface Area

78.524

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G636-1398 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with G636-1398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G636-1398?
Check Price and Availability of G636-1398, 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 G636-1398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G636-1398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G636-1398
  • 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 G636-1398 available by request