G639-1396 Screening compound: methyl 4-{1-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperidine-4-amido}benzoate

G639-1396 Screening compound: methyl 4-{1-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperidine-4-amido}benzoate
G639-1396 Screening compound: methyl 4-{1-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperidine-4-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G639-1396
methyl 4-{1-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperidine-4-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

G639-1396

Molecular Formula

C23H23N5O4 (C23 H23 N5 O4)

Compound Name

methyl 4-{1-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperidine-4-amido}benzoate

IUPAC name

methyl 4-{1-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperidine-4-amido}benzoate

SMILES

COC(c(cc1)ccc1NC(C(CC1)CCN1C(c1n[nH]c(-c2ccncc2)c1)=O)=O)=O

InChI

InChI=1S/C23H23N5O4/c1-32-23(31)17-2-4-18(5-3-17)25-21(29)16-8-12-28(13-9-16)22(30)20-14-19(26-27-20)15-6-10-24-11-7-15/h2-7,10-11,14,16H,8-9,12-13H2,1H3,(H,25,29)(H,26,27)

InChI Key

ZMZIKJPTFPPOHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27147528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.100

Distribution Coefficient, logD

2.098

Water Solubility, LogSw

-2.69

Polar Surface Area

93.070

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

G639-1396 in Drug Discovery

Included in Screening Libraries

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

Integrin Receptors Targeted library (1715 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G639-1396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G639-1396?
Check Price and Availability of G639-1396, 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 G639-1396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G639-1396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G639-1396
  • 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 G639-1396 available by request