8020-5988 Screening compound: 1-[3-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1-ethanone

8020-5988 Screening compound: 1-[3-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1-ethanone
8020-5988 Screening compound: 1-[3-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5988
1-[3-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1-ethanone

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

8020-5988

Molecular Formula

C21H22N2O6 (C21 H22 N2 O6)

Compound Name

1-[3-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1-ethanone

IUPAC name

1-[3-(2H-13-benzodioxol-5-yl)-5-(345-trimethoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]ethan-1-one

SMILES

CC(N(C(C1)c(cc2OC)cc(OC)c2OC)N=C1c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C21H22N2O6/c1-12(24)23-16(14-8-19(25-2)21(27-4)20(9-14)26-3)10-15(22-23)13-5-6-17-18(7-13)29-11-28-17/h5-9,16H,10-11H2,1-4H3/t16-/m0/s1

InChI Key

DSUSHVBFDNYXMR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD09054442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

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

3.232

Distribution Coefficient, logD

3.232

Water Solubility, LogSw

-3.25

Polar Surface Area

67.947

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with 8020-5988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5988?
Check Price and Availability of 8020-5988, 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 8020-5988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5988
  • 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 8020-5988 available by request