V020-1731 Screening compound: benzyl N-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]carbamate

V020-1731 Screening compound: benzyl N-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]carbamate
V020-1731 Screening compound: benzyl N-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-1731
benzyl N-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]carbamate

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

V020-1731

Molecular Formula

C27H26F3N3O3 (C27 H26 F3 N3 O3)

Compound Name

benzyl N-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]carbamate

IUPAC name

benzyl N-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-13-diazinan-1-yl)phenyl]carbamate

SMILES

Cc(cc1)cc(NC(OCc2ccccc2)=O)c1N(CCCN1Cc2ccc(C(F)(F)F)cc2)C1=O

InChI

InChI=1S/C27H26F3N3O3/c1-19-8-13-24(23(16-19)31-25(34)36-18-21-6-3-2-4-7-21)33-15-5-14-32(26(33)35)17-20-9-11-22(12-10-20)27(28,29)30/h2-4,6-13,16H,5,14-15,17-18H2,1H3,(H,31,34)

InChI Key

DECXMCGNFLMQTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19930227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.169

Distribution Coefficient, logD

6.168

Water Solubility, LogSw

-5.48

Polar Surface Area

50.346

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V020-1731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-1731?
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What is the minimum amount of V020-1731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-1731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-1731
  • 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 V020-1731 available by request