G812-2139 Screening compound: ethyl 1-(4-{3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}butanoyl)piperidine-4-carboxylate

G812-2139 Screening compound: ethyl 1-(4-{3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}butanoyl)piperidine-4-carboxylate
G812-2139 Screening compound: ethyl 1-(4-{3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}butanoyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G812-2139
ethyl 1-(4-{3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}butanoyl)piperidine-4-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

G812-2139

Molecular Formula

C25H29FN4O3 (C25 H29 FN4 O3)

Compound Name

ethyl 1-(4-{3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}butanoyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(4-{3-[(4-fluorophenyl)methyl]-3H-imidazo[45-b]pyridin-2-yl}butanoyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(CCCc1nc2cccnc2n1Cc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C25H29FN4O3/c1-2-33-25(32)19-12-15-29(16-13-19)23(31)7-3-6-22-28-21-5-4-14-27-24(21)30(22)17-18-8-10-20(26)11-9-18/h4-5,8-11,14,19H,2-3,6-7,12-13,15-17H2,1H3

InChI Key

NMHOPNWOYLTQQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27162993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.136

Distribution Coefficient, logD

3.136

Water Solubility, LogSw

-2.94

Polar Surface Area

57.925

Acid Dissociation Constant (pKa)

19.02

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

G812-2139 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G812-2139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G812-2139?
Check Price and Availability of G812-2139, 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 G812-2139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G812-2139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G812-2139
  • 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 G812-2139 available by request