F646-0452 Screening compound: N-cyclooctyl-4-methyl-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide

F646-0452 Screening compound: N-cyclooctyl-4-methyl-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide
F646-0452 Screening compound: N-cyclooctyl-4-methyl-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F646-0452
N-cyclooctyl-4-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

F646-0452

Molecular Formula

C21H25N5O (C21 H25 N5 O)

Compound Name

N-cyclooctyl-4-methyl-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide

IUPAC name

N-cyclooctyl-4-methyl-3-{3H-[123]triazolo[45-b]pyridin-3-yl}benzamide

SMILES

Cc(ccc(C(NC1CCCCCCC1)=O)c1)c1-n1nnc2cccnc12

InChI

InChI=1S/C21H25N5O/c1-15-11-12-16(21(27)23-17-8-5-3-2-4-6-9-17)14-19(15)26-20-18(24-25-26)10-7-13-22-20/h7,10-14,17H,2-6,8-9H2,1H3,(H,23,27)

InChI Key

XLRWUBMDPVSOKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27182284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.049

Distribution Coefficient, logD

4.049

Water Solubility, LogSw

-4.10

Polar Surface Area

59.876

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

F646-0452 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F646-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F646-0452?
Check Price and Availability of F646-0452, 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 F646-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F646-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F646-0452
  • 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 F646-0452 available by request