8016-6775 Screening compound: N~5~-[3,5-dimethyl-1-(3-methylbenzyl)-1H-pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide

8016-6775 Screening compound: N~5~-[3,5-dimethyl-1-(3-methylbenzyl)-1H-pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
8016-6775 Screening compound: N~5~-[3,5-dimethyl-1-(3-methylbenzyl)-1H-pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6775
N~5~-[3,5-dimethyl-1-(3-methylbenzyl)-1H-pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide

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

8016-6775

Molecular Formula

C21H21N3O3 (C21 H21 N3 O3)

Compound Name

N~5~-[3,5-dimethyl-1-(3-methylbenzyl)-1H-pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{35-dimethyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl}-2H-13-benzodioxole-5-carboxamide

SMILES

Cc(n(Cc1cc(C)ccc1)nc1C)c1NC(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C21H21N3O3/c1-13-5-4-6-16(9-13)11-24-15(3)20(14(2)23-24)22-21(25)17-7-8-18-19(10-17)27-12-26-18/h4-10H,11-12H2,1-3H3,(H,22,25)

InChI Key

NDNJABNYRKGZFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.080

Distribution Coefficient, logD

3.079

Water Solubility, LogSw

-3.15

Polar Surface Area

53.331

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

References: we are preparing a list of scientific research reports with 8016-6775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6775?
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What is the minimum amount of 8016-6775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6775
  • 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 8016-6775 available by request