G826-0777 Screening compound: 2-{4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-1-yl}-N-(2-fluorophenyl)pyridine-4-carboxamide

G826-0777 Screening compound: 2-{4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-1-yl}-N-(2-fluorophenyl)pyridine-4-carboxamide
G826-0777 Screening compound: 2-{4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-1-yl}-N-(2-fluorophenyl)pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G826-0777
2-{4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-1-yl}-N-(2-fluorophenyl)pyridine-4-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

G826-0777

Molecular Formula

C24H21ClF2N4O2 (C24 H21 ClF2 N4 O2)

Compound Name

2-{4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-1-yl}-N-(2-fluorophenyl)pyridine-4-carboxamide

IUPAC name

2-{4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-1-yl}-N-(2-fluorophenyl)pyridine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1nccc(C(Nc(cccc2)c2F)=O)c1)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C24H21ClF2N4O2/c25-18-14-17(5-6-19(18)26)29-23(32)15-8-11-31(12-9-15)22-13-16(7-10-28-22)24(33)30-21-4-2-1-3-20(21)27/h1-7,10,13-15H,8-9,11-12H2,(H,29,32)(H,30,33)

InChI Key

NEQKRTRAFALHKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.757

Distribution Coefficient, logD

4.715

Water Solubility, LogSw

-5.01

Polar Surface Area

57.687

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

G826-0777 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G826-0777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G826-0777?
Check Price and Availability of G826-0777, 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 G826-0777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G826-0777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G826-0777
  • 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 G826-0777 available by request