V020-9155 Screening compound: 1-{5-methyl-2-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl}-3-(4-methylphenyl)urea

V020-9155 Screening compound: 1-{5-methyl-2-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl}-3-(4-methylphenyl)urea
V020-9155 Screening compound: 1-{5-methyl-2-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl}-3-(4-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-9155
1-{5-methyl-2-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl}-3-(4-methylphenyl)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

V020-9155

Molecular Formula

C27H30N4O2 (C27 H30 N4 O2)

Compound Name

1-{5-methyl-2-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl}-3-(4-methylphenyl)urea

IUPAC name

1-{5-methyl-2-[2-oxo-3-(1-phenylethyl)-13-diazinan-1-yl]phenyl}-3-(4-methylphenyl)urea

SMILES

CC(c1ccccc1)N(CCCN1c(ccc(C)c2)c2NC(Nc2ccc(C)cc2)=O)C1=O

InChI

InChI=1S/C27H30N4O2/c1-19-10-13-23(14-11-19)28-26(32)29-24-18-20(2)12-15-25(24)31-17-7-16-30(27(31)33)21(3)22-8-5-4-6-9-22/h4-6,8-15,18,21H,7,16-17H2,1-3H3,(H2,28,29,32)/t21-/m0/s1

InChI Key

JYLYELYJVTWMAE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19930944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.102

Distribution Coefficient, logD

6.102

Water Solubility, LogSw

-5.35

Polar Surface Area

50.608

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

V020-9155 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

CNS Targets (44014 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with V020-9155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-9155?
Check Price and Availability of V020-9155, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V020-9155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-9155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-9155
  • 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 V020-9155 available by request