V004-1434 Screening compound: 1-benzyl-3-(4-{3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)urea

V004-1434 Screening compound: 1-benzyl-3-(4-{3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)urea
V004-1434 Screening compound: 1-benzyl-3-(4-{3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1434
1-benzyl-3-(4-{3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)urea

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

V004-1434

Molecular Formula

C26H28N4O3 (C26 H28 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CN(CCCN2c(cc3)ccc3NC(NCc3ccccc3)=O)C2=O)cccc1

InChI

InChI=1S/C26H28N4O3/c1-33-24-11-6-5-10-21(24)19-29-16-7-17-30(26(29)32)23-14-12-22(13-15-23)28-25(31)27-18-20-8-3-2-4-9-20/h2-6,8-15H,7,16-19H2,1H3,(H2,27,28,31)

InChI Key

FXFYYHZPRMBKIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.353

Distribution Coefficient, logD

4.353

Water Solubility, LogSw

-4.29

Polar Surface Area

61.052

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V004-1434 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-1434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1434?
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What is the minimum amount of V004-1434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1434
  • 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 V004-1434 available by request