8016-8145 Screening compound: 1-(4-chlorophenyl)-3-cyanotetrahydro-1H,5H-pyrazolo[1,2-a]pyrazol-2-yl cyanide

8016-8145 Screening compound: 1-(4-chlorophenyl)-3-cyanotetrahydro-1H,5H-pyrazolo[1,2-a]pyrazol-2-yl cyanide
8016-8145 Screening compound: 1-(4-chlorophenyl)-3-cyanotetrahydro-1H,5H-pyrazolo[1,2-a]pyrazol-2-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8145
1-(4-chlorophenyl)-3-cyanotetrahydro-1H,5H-pyrazolo[1,2-a]pyrazol-2-yl cyanide

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

8016-8145

Molecular Formula

C14H13ClN4 (C14 H13 ClN4)

Compound Name

1-(4-chlorophenyl)-3-cyanotetrahydro-1H,5H-pyrazolo[1,2-a]pyrazol-2-yl cyanide

IUPAC name

3-(4-chlorophenyl)-hexahydro-[12]diazolo[12-a]pyrazole-12-dicarbonitrile

SMILES

N#CC1C(C#N)N(CCC2)N2C1c(cc1)ccc1Cl

InChI

InChI=1S/C14H13ClN4/c15-11-4-2-10(3-5-11)14-12(8-16)13(9-17)18-6-1-7-19(14)18/h2-5,12-14H,1,6-7H2

InChI Key

QAAHEEMRGUMKBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03287877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.976

Distribution Coefficient, logD

1.976

Water Solubility, LogSw

-2.43

Polar Surface Area

41.885

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-5.35

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.86

8016-8145 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-8145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8145?
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What is the minimum amount of 8016-8145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8145
  • 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 8016-8145 available by request