V013-4431 Screening compound: 2-(3-methoxyphenyl)-N-(3-{3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)acetamide

V013-4431 Screening compound: 2-(3-methoxyphenyl)-N-(3-{3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)acetamide
V013-4431 Screening compound: 2-(3-methoxyphenyl)-N-(3-{3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4431
2-(3-methoxyphenyl)-N-(3-{3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)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

V013-4431

Molecular Formula

C27H29N3O4 (C27 H29 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CN(CCCN2c3cc(NC(Cc4cc(OC)ccc4)=O)ccc3)C2=O)cc1

InChI

InChI=1S/C27H29N3O4/c1-33-24-12-10-20(11-13-24)19-29-14-5-15-30(27(29)32)23-8-4-7-22(18-23)28-26(31)17-21-6-3-9-25(16-21)34-2/h3-4,6-13,16,18H,5,14-15,17,19H2,1-2H3,(H,28,31)

InChI Key

XXXSJCXHKOXAQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

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

4.431

Distribution Coefficient, logD

4.431

Water Solubility, LogSw

-4.39

Polar Surface Area

57.762

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V013-4431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4431?
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What is the minimum amount of V013-4431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4431
  • 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 V013-4431 available by request