V014-3544 Screening compound: N-(3-{3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-fluorobenzamide

V014-3544 Screening compound: N-(3-{3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-fluorobenzamide
V014-3544 Screening compound: N-(3-{3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-3544
N-(3-{3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-fluorobenzamide

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

V014-3544

Molecular Formula

C24H21ClFN3O2 (C24 H21 ClFN3 O2)

Compound Name

N-(3-{3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-fluorobenzamide

IUPAC name

N-(3-{3-[(2-chlorophenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)-3-fluorobenzamide

SMILES

O=C(c1cc(F)ccc1)Nc1cccc(N(CCCN2Cc(cccc3)c3Cl)C2=O)c1

InChI

InChI=1S/C24H21ClFN3O2/c25-22-11-2-1-6-18(22)16-28-12-5-13-29(24(28)31)21-10-4-9-20(15-21)27-23(30)17-7-3-8-19(26)14-17/h1-4,6-11,14-15H,5,12-13,16H2,(H,27,30)

InChI Key

HLQOLPAAYYUTCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19897124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.9

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

5.351

Distribution Coefficient, logD

5.348

Water Solubility, LogSw

-5.97

Polar Surface Area

42.888

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V014-3544 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V014-3544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-3544?
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What is the minimum amount of V014-3544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-3544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-3544
  • 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 V014-3544 available by request