V018-8668 Screening compound: 1-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-phenylurea

V018-8668 Screening compound: 1-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-phenylurea
V018-8668 Screening compound: 1-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-8668
1-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-phenylurea

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

V018-8668

Molecular Formula

C25H24ClFN4O2 (C25 H24 ClFN4 O2)

Compound Name

1-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-phenylurea

IUPAC name

1-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-13-diazinan-1-yl}-5-methylphenyl)-3-phenylurea

SMILES

Cc(cc1)cc(NC(Nc2ccccc2)=O)c1N(CCCN1Cc(cc(cc2)F)c2Cl)C1=O

InChI

InChI=1S/C25H24ClFN4O2/c1-17-8-11-23(22(14-17)29-24(32)28-20-6-3-2-4-7-20)31-13-5-12-30(25(31)33)16-18-15-19(27)9-10-21(18)26/h2-4,6-11,14-15H,5,12-13,16H2,1H3,(H2,28,29,32)

InChI Key

AUIYPQRIBDMUKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.94

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

5.859

Distribution Coefficient, logD

5.859

Water Solubility, LogSw

-5.92

Polar Surface Area

51.101

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V018-8668 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Immunological Library (6760 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V018-8668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-8668?
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What is the minimum amount of V018-8668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-8668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-8668
  • 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 V018-8668 available by request