G639-2042 Screening compound: 1-(3-chlorophenyl)-4-{1-[5-(pyridin-3-yl)-1H-pyrazole-3-carbonyl]piperidine-4-carbonyl}piperazine

G639-2042 Screening compound: 1-(3-chlorophenyl)-4-{1-[5-(pyridin-3-yl)-1H-pyrazole-3-carbonyl]piperidine-4-carbonyl}piperazine
G639-2042 Screening compound: 1-(3-chlorophenyl)-4-{1-[5-(pyridin-3-yl)-1H-pyrazole-3-carbonyl]piperidine-4-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G639-2042
1-(3-chlorophenyl)-4-{1-[5-(pyridin-3-yl)-1H-pyrazole-3-carbonyl]piperidine-4-carbonyl}piperazine

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

G639-2042

Molecular Formula

C25H27ClN6O2 (C25 H27 ClN6 O2)

Compound Name

1-(3-chlorophenyl)-4-{1-[5-(pyridin-3-yl)-1H-pyrazole-3-carbonyl]piperidine-4-carbonyl}piperazine

IUPAC name

1-(3-chlorophenyl)-4-{1-[5-(pyridin-3-yl)-1H-pyrazole-3-carbonyl]piperidine-4-carbonyl}piperazine

SMILES

O=C(C(CC1)CCN1C(c1n[nH]c(-c2cnccc2)c1)=O)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C25H27ClN6O2/c26-20-4-1-5-21(15-20)30-11-13-32(14-12-30)24(33)18-6-9-31(10-7-18)25(34)23-16-22(28-29-23)19-3-2-8-27-17-19/h1-5,8,15-18H,6-7,9-14H2,(H,28,29)

InChI Key

RYZYUWSKPPTYRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27147650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.709

Distribution Coefficient, logD

2.709

Water Solubility, LogSw

-3.50

Polar Surface Area

68.803

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

G639-2042 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 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 G639-2042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G639-2042?
Check Price and Availability of G639-2042, 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 G639-2042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G639-2042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G639-2042
  • 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 G639-2042 available by request