Z601-1176 Screening compound: 6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidin-3-yl(1-pyrrolidinyl)methanone

Z601-1176 Screening compound: 6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidin-3-yl(1-pyrrolidinyl)methanone
Z601-1176 Screening compound: 6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidin-3-yl(1-pyrrolidinyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Z601-1176
6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidin-3-yl(1-pyrrolidinyl)methanone

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

Z601-1176

Molecular Formula

C17H22N4O (C17 H22 N4 O)

Compound Name

6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidin-3-yl(1-pyrrolidinyl)methanone

IUPAC name

5-(pyrrolidine-1-carbonyl)-237-triazatricyclo[7.6.0.0^{26}]pentadeca-1(9)357-tetraene

SMILES

O=C(c1c2ncc(CCCCCC3)c3n2nc1)N1CCCC1

InChI

InChI=1S/C17H22N4O/c22-17(20-9-5-6-10-20)14-12-19-21-15-8-4-2-1-3-7-13(15)11-18-16(14)21/h11-12H,1-10H2

InChI Key

XXIAEIYKUAZZQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27639337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.819

Distribution Coefficient, logD

2.819

Water Solubility, LogSw

-3.10

Polar Surface Area

39.747

Acid Dissociation Constant (pKa)

26.66

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.82

Z601-1176 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Fragments Library (11262 compounds)

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:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Structure:
  • Fragments
  • Cyclic compounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with Z601-1176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z601-1176?
Check Price and Availability of Z601-1176, 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 Z601-1176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z601-1176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z601-1176
  • 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 Z601-1176 available by request