V018-6885 Screening compound: 1-benzyl-3-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]urea

V018-6885 Screening compound: 1-benzyl-3-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]urea
V018-6885 Screening compound: 1-benzyl-3-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-6885
1-benzyl-3-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-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

V018-6885

Molecular Formula

C27H27F3N4O3 (C27 H27 F3 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(NC(NCc2ccccc2)=O)c1N(CCCN1Cc(cc2)ccc2OC(F)(F)F)C1=O

InChI

InChI=1S/C27H27F3N4O3/c1-19-8-13-24(23(16-19)32-25(35)31-17-20-6-3-2-4-7-20)34-15-5-14-33(26(34)36)18-21-9-11-22(12-10-21)37-27(28,29)30/h2-4,6-13,16H,5,14-15,17-18H2,1H3,(H2,31,32,35)

InChI Key

XJJQKKADKWQTLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.500

Distribution Coefficient, logD

5.500

Water Solubility, LogSw

-5.33

Polar Surface Area

58.360

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V018-6885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-6885?
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What is the minimum amount of V018-6885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-6885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-6885
  • 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 V018-6885 available by request