4817-0216 Screening compound: 6-amino-4-(2H-1,3-benzodioxol-5-yl)-3-[4-(2-methylpropyl)phenyl]-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

4817-0216 Screening compound: 6-amino-4-(2H-1,3-benzodioxol-5-yl)-3-[4-(2-methylpropyl)phenyl]-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
4817-0216 Screening compound: 6-amino-4-(2H-1,3-benzodioxol-5-yl)-3-[4-(2-methylpropyl)phenyl]-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4817-0216
6-amino-4-(2H-1,3-benzodioxol-5-yl)-3-[4-(2-methylpropyl)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

4817-0216

Molecular Formula

C24H22N4O3 (C24 H22 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Cc(cc1)ccc1-c1n[nH]c2c1C(c(cc1)cc3c1OCO3)C(C#N)=C(N)O2

InChI

InChI=1S/C24H22N4O3/c1-13(2)9-14-3-5-15(6-4-14)22-21-20(16-7-8-18-19(10-16)30-12-29-18)17(11-25)23(26)31-24(21)28-27-22/h3-8,10,13,20H,9,12,26H2,1-2H3,(H,27,28)/t20-/m1/s1

InChI Key

YTQQXSKSXKXGOR-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD03069078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.568

Distribution Coefficient, logD

4.568

Water Solubility, LogSw

-4.52

Polar Surface Area

87.589

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4817-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4817-0216?
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What is the minimum amount of 4817-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4817-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4817-0216
  • 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 4817-0216 available by request