8009-1510 Screening compound: 6-amino-4-(furan-2-yl)-3-(trifluoromethyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

8009-1510 Screening compound: 6-amino-4-(furan-2-yl)-3-(trifluoromethyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
8009-1510 Screening compound: 6-amino-4-(furan-2-yl)-3-(trifluoromethyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1510
6-amino-4-(furan-2-yl)-3-(trifluoromethyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

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

8009-1510

Molecular Formula

C12H7F3N4O2 (C12 H7 F3 N4 O2)

Compound Name

6-amino-4-(furan-2-yl)-3-(trifluoromethyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-4-(furan-2-yl)-3-(trifluoromethyl)-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

NC(Oc1c(C2c3ccco3)c(C(F)(F)F)n[nH]1)=C2C#N

InChI

InChI=1S/C12H7F3N4O2/c13-12(14,15)9-8-7(6-2-1-3-20-6)5(4-16)10(17)21-11(8)19-18-9/h1-3,7H,17H2,(H,18,19)/t7-/m0/s1

InChI Key

DVVWNKCOJNHBPT-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD01461577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.377

Distribution Coefficient, logD

1.377

Water Solubility, LogSw

-1.54

Polar Surface Area

79.323

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8009-1510 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-1510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1510?
Check Price and Availability of 8009-1510, 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 8009-1510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1510
  • 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 8009-1510 available by request