V028-5981 Screening compound: 5-(4-methoxybenzyl)-4-oxo-N-[3-(trifluoromethyl)benzyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

V028-5981 Screening compound: 5-(4-methoxybenzyl)-4-oxo-N-[3-(trifluoromethyl)benzyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
V028-5981 Screening compound: 5-(4-methoxybenzyl)-4-oxo-N-[3-(trifluoromethyl)benzyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5981
5-(4-methoxybenzyl)-4-oxo-N-[3-(trifluoromethyl)benzyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-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

V028-5981

Molecular Formula

C23H21F3N4O3 (C23 H21 F3 N4 O3)

Compound Name

5-(4-methoxybenzyl)-4-oxo-N-[3-(trifluoromethyl)benzyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

IUPAC name

5-[(4-methoxyphenyl)methyl]-4-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-4H5H6H7H-pyrazolo[15-a]pyrazine-2-carboxamide

SMILES

COc1ccc(CN(CCn(c2c3)nc3C(NCc3cccc(C(F)(F)F)c3)=O)C2=O)cc1

InChI

InChI=1S/C23H21F3N4O3/c1-33-18-7-5-15(6-8-18)14-29-9-10-30-20(22(29)32)12-19(28-30)21(31)27-13-16-3-2-4-17(11-16)23(24,25)26/h2-8,11-12H,9-10,13-14H2,1H3,(H,27,31)

InChI Key

WNPKKFFKGVABGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19938828

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

458.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.034

Distribution Coefficient, logD

3.034

Water Solubility, LogSw

-3.45

Polar Surface Area

62.008

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.09

References: we are preparing a list of scientific research reports with V028-5981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5981?
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What is the minimum amount of V028-5981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5981
  • 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 V028-5981 available by request