V015-9997 Screening compound: 1-(2-{3-[(2,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-(4-methylphenyl)urea

V015-9997 Screening compound: 1-(2-{3-[(2,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-(4-methylphenyl)urea
V015-9997 Screening compound: 1-(2-{3-[(2,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-(4-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-9997
1-(2-{3-[(2,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-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

V015-9997

Molecular Formula

C28H32N4O2 (C28 H32 N4 O2)

Compound Name

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

IUPAC name

1-(2-{3-[(25-dimethylphenyl)methyl]-2-oxo-13-diazinan-1-yl}-5-methylphenyl)-3-(4-methylphenyl)urea

SMILES

Cc(cc1)ccc1NC(Nc(cc(C)cc1)c1N(CCCN1Cc2c(C)ccc(C)c2)C1=O)=O

InChI

InChI=1S/C28H32N4O2/c1-19-7-11-24(12-8-19)29-27(33)30-25-17-21(3)9-13-26(25)32-15-5-14-31(28(32)34)18-23-16-20(2)6-10-22(23)4/h6-13,16-17H,5,14-15,18H2,1-4H3,(H2,29,30,33)

InChI Key

VXHDSUKCPGEBFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19931006

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

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.848

Distribution Coefficient, logD

6.848

Water Solubility, LogSw

-5.51

Polar Surface Area

51.101

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

V015-9997 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antibacterial Compounds Library (13827 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V015-9997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-9997?
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What is the minimum amount of V015-9997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-9997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-9997
  • 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 V015-9997 available by request