F646-0749 Screening compound: ethyl 1-(2-methyl-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzoyl)piperidine-3-carboxylate

F646-0749 Screening compound: ethyl 1-(2-methyl-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzoyl)piperidine-3-carboxylate
F646-0749 Screening compound: ethyl 1-(2-methyl-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzoyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F646-0749
ethyl 1-(2-methyl-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzoyl)piperidine-3-carboxylate

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

F646-0749

Molecular Formula

C21H23N5O3 (C21 H23 N5 O3)

Compound Name

ethyl 1-(2-methyl-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzoyl)piperidine-3-carboxylate

IUPAC name

ethyl 1-(2-methyl-3-{3H-[123]triazolo[45-b]pyridin-3-yl}benzoyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1c(C)c(-n2nnc3cccnc23)ccc1)=O)=O

InChI

InChI=1S/C21H23N5O3/c1-3-29-21(28)15-7-6-12-25(13-15)20(27)16-8-4-10-18(14(16)2)26-19-17(23-24-26)9-5-11-22-19/h4-5,8-11,15H,3,6-7,12-13H2,1-2H3/t15-/m0/s1

InChI Key

FURUJAUYUGYMPG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27182371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.072

Distribution Coefficient, logD

2.072

Water Solubility, LogSw

-2.60

Polar Surface Area

72.742

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

F646-0749 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F646-0749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F646-0749?
Check Price and Availability of F646-0749, 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 F646-0749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F646-0749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F646-0749
  • 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 F646-0749 available by request