V028-6035 Screening compound: N-(4-{3-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)cyclopropanecarboxamide

V028-6035 Screening compound: N-(4-{3-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)cyclopropanecarboxamide
V028-6035 Screening compound: N-(4-{3-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-6035
N-(4-{3-[(3-chloro-2-fluorophenyl)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

V028-6035

Molecular Formula

C21H21ClFN3O2 (C21 H21 ClFN3 O2)

Compound Name

N-(4-{3-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)cyclopropanecarboxamide

IUPAC name

N-(4-{3-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)cyclopropanecarboxamide

SMILES

O=C(C1CC1)Nc(cc1)ccc1N(CCCN1Cc2cccc(Cl)c2F)C1=O

InChI

InChI=1S/C21H21ClFN3O2/c22-18-4-1-3-15(19(18)23)13-25-11-2-12-26(21(25)28)17-9-7-16(8-10-17)24-20(27)14-5-6-14/h1,3-4,7-10,14H,2,5-6,11-13H2,(H,24,27)

InChI Key

NIZRPNNJSPYMFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19929680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.87

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

4.514

Distribution Coefficient, logD

4.514

Water Solubility, LogSw

-4.50

Polar Surface Area

43.411

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V028-6035 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V028-6035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-6035?
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What is the minimum amount of V028-6035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-6035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-6035
  • 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 V028-6035 available by request