3394-0219 Screening compound: 6-amino-3-(3-nitrophenyl)-4-[2-(trifluoromethyl)phenyl]-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

3394-0219 Screening compound: 6-amino-3-(3-nitrophenyl)-4-[2-(trifluoromethyl)phenyl]-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
3394-0219 Screening compound: 6-amino-3-(3-nitrophenyl)-4-[2-(trifluoromethyl)phenyl]-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3394-0219
6-amino-3-(3-nitrophenyl)-4-[2-(trifluoromethyl)phenyl]-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

3394-0219

Molecular Formula

C20H12F3N5O3 (C20 H12 F3 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

NC(Oc1c(C2c3c(C(F)(F)F)cccc3)c(-c3cc([N+]([O-])=O)ccc3)n[nH]1)=C2C#N

InChI

InChI=1S/C20H12F3N5O3/c21-20(22,23)14-7-2-1-6-12(14)15-13(9-24)18(25)31-19-16(15)17(26-27-19)10-4-3-5-11(8-10)28(29)30/h1-8,15H,25H2,(H,26,27)/t15-/m0/s1

InChI Key

WVGRZVCOGSLTEM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01971937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.892

Distribution Coefficient, logD

3.892

Water Solubility, LogSw

-4.46

Polar Surface Area

103.855

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 3394-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3394-0219?
Check Price and Availability of 3394-0219, 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 3394-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3394-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3394-0219
  • 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 3394-0219 available by request