V015-5086 Screening compound: N-(2-{3-[(2,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-2,6-difluorobenzamide

V015-5086 Screening compound: N-(2-{3-[(2,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-2,6-difluorobenzamide
V015-5086 Screening compound: N-(2-{3-[(2,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-5086
N-(2-{3-[(2,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-2,6-difluorobenzamide

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

V015-5086

Molecular Formula

C27H27F2N3O2 (C27 H27 F2 N3 O2)

Compound Name

N-(2-{3-[(2,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-2,6-difluorobenzamide

IUPAC name

N-(2-{3-[(25-dimethylphenyl)methyl]-2-oxo-13-diazinan-1-yl}-5-methylphenyl)-26-difluorobenzamide

SMILES

Cc1cc(CN(CCCN2c(ccc(C)c3)c3NC(c(c(F)ccc3)c3F)=O)C2=O)c(C)cc1

InChI

InChI=1S/C27H27F2N3O2/c1-17-8-10-19(3)20(14-17)16-31-12-5-13-32(27(31)34)24-11-9-18(2)15-23(24)30-26(33)25-21(28)6-4-7-22(25)29/h4,6-11,14-15H,5,12-13,16H2,1-3H3,(H,30,33)

InChI Key

AYWSSMKCKUPIKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.266

Distribution Coefficient, logD

6.073

Water Solubility, LogSw

-5.49

Polar Surface Area

41.889

Acid Dissociation Constant (pKa)

7.65

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V015-5086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-5086?
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What is the minimum amount of V015-5086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-5086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-5086
  • 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 V015-5086 available by request