8012-9600 Screening compound: 9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-3-yl cyanide

8012-9600 Screening compound: 9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-3-yl cyanide
8012-9600 Screening compound: 9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9600
9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-3-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

8012-9600

Molecular Formula

C12H9F3N4 (C12 H9 F3 N4)

Compound Name

9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-3-yl cyanide

IUPAC name

9-(trifluoromethyl)-5H6H7H8H-pyrazolo[32-b]quinazoline-3-carbonitrile

SMILES

N#Cc1c2nc(CCCC3)c3c(C(F)(F)F)n2nc1

InChI

InChI=1S/C12H9F3N4/c13-12(14,15)10-8-3-1-2-4-9(8)18-11-7(5-16)6-17-19(10)11/h6H,1-4H2

InChI Key

IYFCYRVXKSWZHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.23

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.859

Distribution Coefficient, logD

2.859

Water Solubility, LogSw

-3.25

Polar Surface Area

39.059

Acid Dissociation Constant (pKa)

25.56

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

8012-9600 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

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

CNS BBB Library (22607 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8012-9600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9600?
Check Price and Availability of 8012-9600, 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 8012-9600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9600
  • 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 8012-9600 available by request