V013-8426 Screening compound: 4-{5-[(2-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}-N-(naphthalen-1-yl)piperazine-1-carboxamide

V013-8426 Screening compound: 4-{5-[(2-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}-N-(naphthalen-1-yl)piperazine-1-carboxamide
V013-8426 Screening compound: 4-{5-[(2-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}-N-(naphthalen-1-yl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-8426
4-{5-[(2-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}-N-(naphthalen-1-yl)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

V013-8426

Molecular Formula

C28H28FN5O (C28 H28 FN5 O)

Compound Name

4-{5-[(2-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}-N-(naphthalen-1-yl)piperazine-1-carboxamide

IUPAC name

4-{5-[(2-fluorophenyl)methyl]-26-dimethylpyrimidin-4-yl}-N-(naphthalen-1-yl)piperazine-1-carboxamide

SMILES

Cc1nc(C)nc(N(CC2)CCN2C(Nc2cccc3ccccc23)=O)c1Cc(cccc1)c1F

InChI

InChI=1S/C28H28FN5O/c1-19-24(18-22-9-4-6-12-25(22)29)27(31-20(2)30-19)33-14-16-34(17-15-33)28(35)32-26-13-7-10-21-8-3-5-11-23(21)26/h3-13H,14-18H2,1-2H3,(H,32,35)

InChI Key

OUFPEMREMNBYEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19850603

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.628

Distribution Coefficient, logD

5.599

Water Solubility, LogSw

-6.58

Polar Surface Area

46.421

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V013-8426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-8426?
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What is the minimum amount of V013-8426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-8426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-8426
  • 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 V013-8426 available by request