P764-0269 Screening compound: 3-(azepane-1-carbonyl)-1-[2-(piperidin-1-yl)ethyl]-1H-indazole

P764-0269 Screening compound: 3-(azepane-1-carbonyl)-1-[2-(piperidin-1-yl)ethyl]-1H-indazole
P764-0269 Screening compound: 3-(azepane-1-carbonyl)-1-[2-(piperidin-1-yl)ethyl]-1H-indazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P764-0269
3-(azepane-1-carbonyl)-1-[2-(piperidin-1-yl)ethyl]-1H-indazole

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

P764-0269

Molecular Formula

C21H30N4O (C21 H30 N4 O)

Compound Name

3-(azepane-1-carbonyl)-1-[2-(piperidin-1-yl)ethyl]-1H-indazole

IUPAC name

3-(azepane-1-carbonyl)-1-[2-(piperidin-1-yl)ethyl]-1H-indazole

SMILES

O=C(c1nn(CCN2CCCCC2)c2c1cccc2)N1CCCCCC1

InChI

InChI=1S/C21H30N4O/c26-21(24-14-8-1-2-9-15-24)20-18-10-4-5-11-19(18)25(22-20)17-16-23-12-6-3-7-13-23/h4-5,10-11H,1-3,6-9,12-17H2

InChI Key

JTVQCSATUSMWJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.125

Distribution Coefficient, logD

2.449

Water Solubility, LogSw

-2.98

Polar Surface Area

35.157

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

7.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

P764-0269 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 P764-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P764-0269?
Check Price and Availability of P764-0269, 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 P764-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P764-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P764-0269
  • 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 P764-0269 available by request