V028-5296 Screening compound: N-[3-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide

V028-5296 Screening compound: N-[3-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
V028-5296 Screening compound: N-[3-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5296
N-[3-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide

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

V028-5296

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

N-[3-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide

IUPAC name

N-[3-(2H-13-benzodioxol-5-yl)-5-methyl-1H-pyrazol-4-yl]-33-dimethylbutanamide

SMILES

CC(C)(C)CC(Nc1c(C)[nH]nc1-c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C17H21N3O3/c1-10-15(18-14(21)8-17(2,3)4)16(20-19-10)11-5-6-12-13(7-11)23-9-22-12/h5-7H,8-9H2,1-4H3,(H,18,21)(H,19,20)

InChI Key

HGFPUHUDVWMVIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14266356

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.203

Distribution Coefficient, logD

3.203

Water Solubility, LogSw

-3.26

Polar Surface Area

62.945

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with V028-5296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5296?
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What is the minimum amount of V028-5296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5296
  • 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 V028-5296 available by request