V029-0278 Screening compound: N-(4-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-(3-methoxyphenyl)acetamide

V029-0278 Screening compound: N-(4-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-(3-methoxyphenyl)acetamide
V029-0278 Screening compound: N-(4-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0278
N-(4-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-(3-methoxyphenyl)acetamide

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

V029-0278

Molecular Formula

C27H26N4O3 (C27 H26 N4 O3)

Compound Name

N-(4-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-(3-methoxyphenyl)acetamide

IUPAC name

N-(4-{3-[(2-cyanophenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)-2-(3-methoxyphenyl)acetamide

SMILES

COc1cccc(CC(Nc(cc2)ccc2N(CCCN2Cc(cccc3)c3C#N)C2=O)=O)c1

InChI

InChI=1S/C27H26N4O3/c1-34-25-9-4-6-20(16-25)17-26(32)29-23-10-12-24(13-11-23)31-15-5-14-30(27(31)33)19-22-8-3-2-7-21(22)18-28/h2-4,6-13,16H,5,14-15,17,19H2,1H3,(H,29,32)

InChI Key

KJYWXXNZPMIBNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19929608

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.189

Distribution Coefficient, logD

4.189

Water Solubility, LogSw

-4.34

Polar Surface Area

67.275

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with V029-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0278?
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What is the minimum amount of V029-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0278
  • 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 V029-0278 available by request