V028-7335 Screening compound: N-(3-{3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)cyclopropanecarboxamide

V028-7335 Screening compound: N-(3-{3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)cyclopropanecarboxamide
V028-7335 Screening compound: N-(3-{3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-7335
N-(3-{3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)cyclopropanecarboxamide

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

V028-7335

Molecular Formula

C21H21F2N3O2 (C21 H21 F2 N3 O2)

Compound Name

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

IUPAC name

N-(3-{3-[(35-difluorophenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)cyclopropanecarboxamide

SMILES

O=C(C1CC1)Nc1cccc(N(CCCN2Cc3cc(F)cc(F)c3)C2=O)c1

InChI

InChI=1S/C21H21F2N3O2/c22-16-9-14(10-17(23)11-16)13-25-7-2-8-26(21(25)28)19-4-1-3-18(12-19)24-20(27)15-5-6-15/h1,3-4,9-12,15H,2,5-8,13H2,(H,24,27)

InChI Key

GTINDMSREZXFBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19897184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.41

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

4.055

Distribution Coefficient, logD

4.055

Water Solubility, LogSw

-4.07

Polar Surface Area

43.411

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V028-7335 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V028-7335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-7335?
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What is the minimum amount of V028-7335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-7335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-7335
  • 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 V028-7335 available by request