G070-2025 Screening compound: ethyl 4-({4-[(3-cyanophenyl)carbamoyl]piperidin-1-yl}sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate

G070-2025 Screening compound: ethyl 4-({4-[(3-cyanophenyl)carbamoyl]piperidin-1-yl}sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
G070-2025 Screening compound: ethyl 4-({4-[(3-cyanophenyl)carbamoyl]piperidin-1-yl}sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G070-2025
ethyl 4-({4-[(3-cyanophenyl)carbamoyl]piperidin-1-yl}sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate

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

G070-2025

Molecular Formula

C22H26N4O5S (C22 H26 N4 O5 S)

Compound Name

ethyl 4-({4-[(3-cyanophenyl)carbamoyl]piperidin-1-yl}sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 4-({4-[(3-cyanophenyl)carbamoyl]piperidin-1-yl}sulfonyl)-25-dimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(C)c1S(N(CC1)CCC1C(Nc1cc(C#N)ccc1)=O)(=O)=O)=O

InChI

InChI=1S/C22H26N4O5S/c1-4-31-22(28)19-14(2)24-15(3)20(19)32(29,30)26-10-8-17(9-11-26)21(27)25-18-7-5-6-16(12-18)13-23/h5-7,12,17,24H,4,8-11H2,1-3H3,(H,25,27)

InChI Key

QYGPNPWQOHCJFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27209432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.142

Distribution Coefficient, logD

2.142

Water Solubility, LogSw

-2.87

Polar Surface Area

103.638

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G070-2025 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G070-2025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G070-2025?
Check Price and Availability of G070-2025, 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 G070-2025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G070-2025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G070-2025
  • 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 G070-2025 available by request