V013-1363 Screening compound: 2-methyl-3-oxo-N-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

V013-1363 Screening compound: 2-methyl-3-oxo-N-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
V013-1363 Screening compound: 2-methyl-3-oxo-N-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1363
2-methyl-3-oxo-N-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-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

V013-1363

Molecular Formula

C16H20F3N3O2 (C16 H20 F3 N3 O2)

Compound Name

2-methyl-3-oxo-N-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

IUPAC name

2-methyl-3-oxo-N-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

SMILES

CC(C)NC(N(CCN1c2cccc(C(F)(F)F)c2)C(C)C1=O)=O

InChI

InChI=1S/C16H20F3N3O2/c1-10(2)20-15(24)21-7-8-22(14(23)11(21)3)13-6-4-5-12(9-13)16(17,18)19/h4-6,9-11H,7-8H2,1-3H3,(H,20,24)/t11-/m0/s1

InChI Key

PBLXRJSGITWHBY-NSHDSACASA-N

MDL Number (MFCD)

MFCD10457829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.935

Distribution Coefficient, logD

2.935

Water Solubility, LogSw

-3.42

Polar Surface Area

41.365

Acid Dissociation Constant (pKa)

17.31

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V013-1363 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V013-1363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1363?
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What is the minimum amount of V013-1363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1363
  • 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 V013-1363 available by request