V019-5109 Screening compound: 1-(3-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-[4-(propan-2-yl)phenyl]urea

V019-5109 Screening compound: 1-(3-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-[4-(propan-2-yl)phenyl]urea
V019-5109 Screening compound: 1-(3-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-[4-(propan-2-yl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-5109
1-(3-{3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-[4-(propan-2-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

V019-5109

Molecular Formula

C28H32N4O2 (C28 H32 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1NC(Nc1cccc(N(CCCN2Cc3ccc(C)cc3)C2=O)c1)=O

InChI

InChI=1S/C28H32N4O2/c1-20(2)23-12-14-24(15-13-23)29-27(33)30-25-6-4-7-26(18-25)32-17-5-16-31(28(32)34)19-22-10-8-21(3)9-11-22/h4,6-15,18,20H,5,16-17,19H2,1-3H3,(H2,29,30,33)

InChI Key

HPQWYZBEWDTUJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.871

Distribution Coefficient, logD

6.871

Water Solubility, LogSw

-5.53

Polar Surface Area

52.100

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

V019-5109 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V019-5109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-5109?
Check Price and Availability of V019-5109, 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 V019-5109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-5109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-5109
  • 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 V019-5109 available by request