8020-5987 Screening compound: 3-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde

8020-5987 Screening compound: 3-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde
8020-5987 Screening compound: 3-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5987
3-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde

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

8020-5987

Molecular Formula

C20H20N2O6 (C20 H20 N2 O6)

Compound Name

3-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde

IUPAC name

3-(2H-13-benzodioxol-5-yl)-5-(345-trimethoxyphenyl)-45-dihydro-1H-pyrazole-1-carbaldehyde

SMILES

COc1cc(C(C2)N(C=O)N=C2c(cc2)cc3c2OCO3)cc(OC)c1OC

InChI

InChI=1S/C20H20N2O6/c1-24-18-7-13(8-19(25-2)20(18)26-3)15-9-14(21-22(15)10-23)12-4-5-16-17(6-12)28-11-27-16/h4-8,10,15H,9,11H2,1-3H3/t15-/m0/s1

InChI Key

XYKRNAKYHAEBFG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD26098186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.785

Distribution Coefficient, logD

2.785

Water Solubility, LogSw

-3.09

Polar Surface Area

69.360

Acid Dissociation Constant (pKa)

19.49

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 8020-5987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5987?
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What is the minimum amount of 8020-5987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5987
  • 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 8020-5987 available by request