8009-5177 Screening compound: 2-(3-chlorophenyl)-9-phenyltetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione

8009-5177 Screening compound: 2-(3-chlorophenyl)-9-phenyltetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
8009-5177 Screening compound: 2-(3-chlorophenyl)-9-phenyltetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5177
2-(3-chlorophenyl)-9-phenyltetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione

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

8009-5177

Molecular Formula

C20H18ClN3O2 (C20 H18 ClN3 O2)

Compound Name

2-(3-chlorophenyl)-9-phenyltetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione

IUPAC name

4-(3-chlorophenyl)-7-phenyl-148-triazatricyclo[6.3.0.0^{26}]undecane-35-dione

SMILES

O=C(C1C(c2ccccc2)N(CCC2)N2C1C1=O)N1c1cccc(Cl)c1

InChI

InChI=1S/C20H18ClN3O2/c21-14-8-4-9-15(12-14)24-19(25)16-17(13-6-2-1-3-7-13)22-10-5-11-23(22)18(16)20(24)26/h1-4,6-9,12,16-18H,5,10-11H2

InChI Key

DOKTZNJIEAKVSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01821730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.443

Distribution Coefficient, logD

2.443

Water Solubility, LogSw

-3.10

Polar Surface Area

36.057

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

30.00

8009-5177 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8009-5177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5177?
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What is the minimum amount of 8009-5177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5177
  • 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 8009-5177 available by request