8012-3244 Screening compound: 6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(4-ethoxy-3,5-dimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

8012-3244 Screening compound: 6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(4-ethoxy-3,5-dimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
8012-3244 Screening compound: 6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(4-ethoxy-3,5-dimethoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3244
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(4-ethoxy-3,5-dimethoxyphenyl)-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

8012-3244

Molecular Formula

C24H22N4O6 (C24 H22 N4 O6)

Compound Name

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

IUPAC name

6-amino-3-(2H-13-benzodioxol-5-yl)-4-(4-ethoxy-35-dimethoxyphenyl)-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

CCOc(c(OC)cc(C1C(C#N)=C(N)Oc2c1c(-c(cc1)cc3c1OCO3)n[nH]2)c1)c1OC

InChI

InChI=1S/C24H22N4O6/c1-4-31-22-17(29-2)8-13(9-18(22)30-3)19-14(10-25)23(26)34-24-20(19)21(27-28-24)12-5-6-15-16(7-12)33-11-32-15/h5-9,19H,4,11,26H2,1-3H3,(H,27,28)/t19-/m1/s1

InChI Key

KUIKPGWPJGAAAT-LJQANCHMSA-N

MDL Number (MFCD)

MFCD03035852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.151

Distribution Coefficient, logD

3.151

Water Solubility, LogSw

-3.35

Polar Surface Area

110.146

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8012-3244 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 8012-3244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3244?
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What is the minimum amount of 8012-3244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3244
  • 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 8012-3244 available by request