G639-3516 Screening compound: 1-(4-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}piperidin-1-yl)ethan-1-one

G639-3516 Screening compound: 1-(4-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}piperidin-1-yl)ethan-1-one
G639-3516 Screening compound: 1-(4-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G639-3516
1-(4-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}piperidin-1-yl)ethan-1-one

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

G639-3516

Molecular Formula

C21H26N6O3 (C21 H26 N6 O3)

Compound Name

1-(4-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}piperidin-1-yl)ethan-1-one

IUPAC name

1-(4-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}piperidin-1-yl)ethan-1-one

SMILES

CC(N(CC1)CCC1C(N(CC1)CCN1C(c1n[nH]c(-c2ccncc2)c1)=O)=O)=O

InChI

InChI=1S/C21H26N6O3/c1-15(28)25-8-4-17(5-9-25)20(29)26-10-12-27(13-11-26)21(30)19-14-18(23-24-19)16-2-6-22-7-3-16/h2-3,6-7,14,17H,4-5,8-13H2,1H3,(H,23,24)

InChI Key

ZELSHTTVOSHRNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27147969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.253

Distribution Coefficient, logD

0.252

Water Solubility, LogSw

-1.04

Polar Surface Area

82.649

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

G639-3516 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with G639-3516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G639-3516?
Check Price and Availability of G639-3516, 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 G639-3516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G639-3516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G639-3516
  • 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 G639-3516 available by request