3394-0344 Screening compound: 6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(2,3,4-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

3394-0344 Screening compound: 6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(2,3,4-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
3394-0344 Screening compound: 6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(2,3,4-trimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3394-0344
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(2,3,4-trimethoxyphenyl)-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

3394-0344

Molecular Formula

C23H20N4O6 (C23 H20 N4 O6)

Compound Name

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

IUPAC name

6-amino-3-(2H-13-benzodioxol-5-yl)-4-(234-trimethoxyphenyl)-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

COc(ccc(C1C(C#N)=C(N)Oc2c1c(-c(cc1)cc3c1OCO3)n[nH]2)c1OC)c1OC

InChI

InChI=1S/C23H20N4O6/c1-28-15-7-5-12(20(29-2)21(15)30-3)17-13(9-24)22(25)33-23-18(17)19(26-27-23)11-4-6-14-16(8-11)32-10-31-14/h4-8,17H,10,25H2,1-3H3,(H,26,27)/t17-/m1/s1

InChI Key

FEMCIMFLUHRWFU-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD01971849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.923

Distribution Coefficient, logD

2.923

Water Solubility, LogSw

-3.40

Polar Surface Area

110.653

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

3394-0344 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 3394-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3394-0344?
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What is the minimum amount of 3394-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3394-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3394-0344
  • 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 3394-0344 available by request