C881-0325 Screening compound: 1-(4-benzylpiperidino)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)-1-ethanone

C881-0325 Screening compound: 1-(4-benzylpiperidino)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)-1-ethanone
C881-0325 Screening compound: 1-(4-benzylpiperidino)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C881-0325
1-(4-benzylpiperidino)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)-1-ethanone

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

C881-0325

Molecular Formula

C21H27N3O (C21 H27 N3 O)

Compound Name

1-(4-benzylpiperidino)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)-1-ethanone

IUPAC name

n/a

SMILES

O=C(Cn1nc(CCCC2)c2c1)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C21H27N3O/c25-21(16-24-15-19-8-4-5-9-20(19)22-24)23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-3,6-7,15,18H,4-5,8-14,16H2

InChI Key

BHAQQYHBWVCREM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.433

Distribution Coefficient, logD

3.433

Water Solubility, LogSw

-3.28

Polar Surface Area

32.062

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

C881-0325 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C881-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C881-0325?
Check Price and Availability of C881-0325, 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 C881-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C881-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C881-0325
  • 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 C881-0325 available by request