F646-0813 Screening compound: 2-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide

F646-0813 Screening compound: 2-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide
F646-0813 Screening compound: 2-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F646-0813
2-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide

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

F646-0813

Molecular Formula

C27H30N6O (C27 H30 N6 O)

Compound Name

2-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide

IUPAC name

2-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-3-{3H-[123]triazolo[45-b]pyridin-3-yl}benzamide

SMILES

Cc1ccc(CN2CCC(CNC(c3c(C)c(-n4nnc5cccnc45)ccc3)=O)CC2)cc1

InChI

InChI=1S/C27H30N6O/c1-19-8-10-22(11-9-19)18-32-15-12-21(13-16-32)17-29-27(34)23-5-3-7-25(20(23)2)33-26-24(30-31-33)6-4-14-28-26/h3-11,14,21H,12-13,15-18H2,1-2H3,(H,29,34)

InChI Key

GJAXCKRIWPBIRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27182391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.894

Distribution Coefficient, logD

1.173

Water Solubility, LogSw

-3.91

Polar Surface Area

63.552

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F646-0813 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

CNS Targets (44014 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F646-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F646-0813?
Check Price and Availability of F646-0813, 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 F646-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F646-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F646-0813
  • 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 F646-0813 available by request