C881-1435 Screening compound: N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-{2H,4H,5H,6H,7H,8H,9H-cycloocta[c]pyrazol-2-yl}acetamide

C881-1435 Screening compound: N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-{2H,4H,5H,6H,7H,8H,9H-cycloocta[c]pyrazol-2-yl}acetamide
C881-1435 Screening compound: N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-{2H,4H,5H,6H,7H,8H,9H-cycloocta[c]pyrazol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C881-1435
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-{2H,4H,5H,6H,7H,8H,9H-cycloocta[c]pyrazol-2-yl}acetamide

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

C881-1435

Molecular Formula

C25H36ClN5O (C25 H36 ClN5 O)

Compound Name

N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-{2H,4H,5H,6H,7H,8H,9H-cycloocta[c]pyrazol-2-yl}acetamide

IUPAC name

N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-{2H4H5H6H7H8H9H-cycloocta[c]pyrazol-2-yl}acetamide

SMILES

Cc(ccc(Cl)c1)c1N1CCN(CCCNC(Cn2nc(CCCCCC3)c3c2)=O)CC1

InChI

InChI=1S/C25H36ClN5O/c1-20-9-10-22(26)17-24(20)30-15-13-29(14-16-30)12-6-11-27-25(32)19-31-18-21-7-4-2-3-5-8-23(21)28-31/h9-10,17-18H,2-8,11-16,19H2,1H3,(H,27,32)

InChI Key

GDVGBTNXBDMWFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.05

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.274

Distribution Coefficient, logD

3.073

Water Solubility, LogSw

-4.27

Polar Surface Area

47.527

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

8.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

C881-1435 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 C881-1435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C881-1435?
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What is the minimum amount of C881-1435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C881-1435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C881-1435
  • 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 C881-1435 available by request