F617-1081 Screening compound: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-3-methyl-4-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide

F617-1081 Screening compound: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-3-methyl-4-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide
F617-1081 Screening compound: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-3-methyl-4-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F617-1081
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-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

F617-1081

Molecular Formula

C26H35N7O (C26 H35 N7 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)C(NCCCN(CC2)CCN2C2CCCCC2)=O)c1-n1nnc2cccnc12

InChI

InChI=1S/C26H35N7O/c1-20-19-21(10-11-24(20)33-25-23(29-30-33)9-5-12-27-25)26(34)28-13-6-14-31-15-17-32(18-16-31)22-7-3-2-4-8-22/h5,9-12,19,22H,2-4,6-8,13-18H2,1H3,(H,28,34)

InChI Key

DJIWNGBYOLPMEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14961220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.692

Distribution Coefficient, logD

1.782

Water Solubility, LogSw

-2.88

Polar Surface Area

66.737

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.85

F617-1081 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F617-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F617-1081?
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What is the minimum amount of F617-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F617-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F617-1081
  • 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 F617-1081 available by request