F617-1064 Screening compound: N-{2-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]ETHYL}-3-METHYL-4-{3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-3-YL}BENZAMIDE

F617-1064 Screening compound: N-{2-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]ETHYL}-3-METHYL-4-{3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-3-YL}BENZAMIDE
F617-1064 Screening compound: N-{2-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]ETHYL}-3-METHYL-4-{3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-3-YL}BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound F617-1064
N-{2-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]ETHYL}-3-METHYL-4-{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

F617-1064

Molecular Formula

C25H26ClN7O (C25 H26 ClN7 O)

Compound Name

N-{2-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]ETHYL}-3-METHYL-4-{3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-3-YL}BENZAMIDE

IUPAC name

n/a

SMILES

Cc(cc(cc1)C(NCCN(CC2)CCN2c2cccc(Cl)c2)=O)c1-n1nnc2cccnc12

InChI

InChI=1S/C25H26ClN7O/c1-18-16-19(7-8-23(18)33-24-22(29-30-33)6-3-9-27-24)25(34)28-10-11-31-12-14-32(15-13-31)21-5-2-4-20(26)17-21/h2-9,16-17H,10-15H2,1H3,(H,28,34)

InChI Key

KNJNFSKRZHVLQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27179213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.131

Distribution Coefficient, logD

3.107

Water Solubility, LogSw

-3.48

Polar Surface Area

66.904

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

F617-1064 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 F617-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F617-1064?
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What is the minimum amount of F617-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F617-1064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F617-1064
  • 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 F617-1064 available by request