G639-2539 Screening compound: 1-[5-(pyridin-3-yl)-1H-pyrazole-3-carbonyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide

G639-2539 Screening compound: 1-[5-(pyridin-3-yl)-1H-pyrazole-3-carbonyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
G639-2539 Screening compound: 1-[5-(pyridin-3-yl)-1H-pyrazole-3-carbonyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G639-2539
1-[5-(pyridin-3-yl)-1H-pyrazole-3-carbonyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide

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

G639-2539

Molecular Formula

C22H20F3N5O3 (C22 H20 F3 N5 O3)

Compound Name

1-[5-(pyridin-3-yl)-1H-pyrazole-3-carbonyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide

IUPAC name

1-[5-(pyridin-3-yl)-1H-pyrazole-3-carbonyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1C(c1n[nH]c(-c2cnccc2)c1)=O)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C22H20F3N5O3/c23-22(24,25)33-17-7-5-16(6-8-17)27-20(31)15-4-2-10-30(13-15)21(32)19-11-18(28-29-19)14-3-1-9-26-12-14/h1,3,5-9,11-12,15H,2,4,10,13H2,(H,27,31)(H,28,29)/t15-/m0/s1

InChI Key

SXNJOGFIDKUBAC-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27147762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.169

Distribution Coefficient, logD

3.169

Water Solubility, LogSw

-3.38

Polar Surface Area

77.856

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

G639-2539 in Drug Discovery

Included in Screening Libraries

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with G639-2539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G639-2539?
Check Price and Availability of G639-2539, 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 G639-2539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G639-2539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G639-2539
  • 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 G639-2539 available by request