G636-0837 Screening compound: ethyl 3-[1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-amido]benzoate

G636-0837 Screening compound: ethyl 3-[1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-amido]benzoate
G636-0837 Screening compound: ethyl 3-[1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G636-0837
ethyl 3-[1-methyl-4-(piperidine-1-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

G636-0837

Molecular Formula

C20H25N3O5S (C20 H25 N3 O5 S)

Compound Name

ethyl 3-[1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-amido]benzoate

IUPAC name

ethyl 3-[1-methyl-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-amido]benzoate

SMILES

CCOC(c1cccc(NC(c2cc(S(N3CCCCC3)(=O)=O)cn2C)=O)c1)=O

InChI

InChI=1S/C20H25N3O5S/c1-3-28-20(25)15-8-7-9-16(12-15)21-19(24)18-13-17(14-22(18)2)29(26,27)23-10-5-4-6-11-23/h7-9,12-14H,3-6,10-11H2,1-2H3,(H,21,24)

InChI Key

JJIISNXGIOHPJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27147000

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

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.090

Distribution Coefficient, logD

3.089

Water Solubility, LogSw

-3.38

Polar Surface Area

78.104

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G636-0837 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with G636-0837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G636-0837?
Check Price and Availability of G636-0837, 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 G636-0837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G636-0837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G636-0837
  • 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 G636-0837 available by request