V018-8671 Screening compound: 1-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-(3-chlorophenyl)urea

V018-8671 Screening compound: 1-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-(3-chlorophenyl)urea
V018-8671 Screening compound: 1-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-(3-chlorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-8671
1-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3-(3-chlorophenyl)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

V018-8671

Molecular Formula

C25H23Cl2FN4O2 (C25 H23 Cl2 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(NC(Nc2cc(Cl)ccc2)=O)c1N(CCCN1Cc(cc(cc2)F)c2Cl)C1=O

InChI

InChI=1S/C25H23Cl2FN4O2/c1-16-6-9-23(22(12-16)30-24(33)29-20-5-2-4-18(26)14-20)32-11-3-10-31(25(32)34)15-17-13-19(28)7-8-21(17)27/h2,4-9,12-14H,3,10-11,15H2,1H3,(H2,29,30,33)

InChI Key

FOHCMIIUCBGKNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.39

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

6.805

Distribution Coefficient, logD

6.805

Water Solubility, LogSw

-6.33

Polar Surface Area

51.101

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V018-8671 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Antibacterial Compounds Library (13827 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 V018-8671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-8671?
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What is the minimum amount of V018-8671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-8671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-8671
  • 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 V018-8671 available by request