4333-4120 Screening compound: 6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

4333-4120 Screening compound: 6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
4333-4120 Screening compound: 6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4333-4120
6-amino-3-(2H-1,3-benzodioxol-5-yl)-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

4333-4120

Molecular Formula

C21H13F3N4O3 (C21 H13 F3 N4 O3)

Compound Name

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

IUPAC name

6-amino-3-(2H-13-benzodioxol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

NC(Oc1c(C2c3c(C(F)(F)F)cccc3)c(-c(cc3)cc4c3OCO4)n[nH]1)=C2C#N

InChI

InChI=1S/C21H13F3N4O3/c22-21(23,24)13-4-2-1-3-11(13)16-12(8-25)19(26)31-20-17(16)18(27-28-20)10-5-6-14-15(7-10)30-9-29-14/h1-7,16H,9,26H2,(H,27,28)/t16-/m0/s1

InChI Key

YNVVZHORSRVROB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01971831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.868

Distribution Coefficient, logD

3.868

Water Solubility, LogSw

-4.36

Polar Surface Area

87.589

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 4333-4120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4333-4120?
Check Price and Availability of 4333-4120, 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 4333-4120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4333-4120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4333-4120
  • 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 4333-4120 available by request