V014-3959 Screening compound: N-(3-{3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methoxybenzamide

V014-3959 Screening compound: N-(3-{3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methoxybenzamide
V014-3959 Screening compound: N-(3-{3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-3959
N-(3-{3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methoxybenzamide

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

V014-3959

Molecular Formula

C25H23F2N3O3 (C25 H23 F2 N3 O3)

Compound Name

N-(3-{3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methoxybenzamide

IUPAC name

N-(3-{3-[(25-difluorophenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(Nc1cccc(N(CCCN2Cc(cc(cc3)F)c3F)C2=O)c1)=O

InChI

InChI=1S/C25H23F2N3O3/c1-33-22-9-6-17(7-10-22)24(31)28-20-4-2-5-21(15-20)30-13-3-12-29(25(30)32)16-18-14-19(26)8-11-23(18)27/h2,4-11,14-15H,3,12-13,16H2,1H3,(H,28,31)

InChI Key

PBUVWKIOLFREPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19897219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.039

Distribution Coefficient, logD

5.039

Water Solubility, LogSw

-4.70

Polar Surface Area

50.432

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with V014-3959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-3959?
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What is the minimum amount of V014-3959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-3959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-3959
  • 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 V014-3959 available by request