V020-0124 Screening compound: N-(3-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-4-methoxyphenyl)-3-(trifluoromethyl)benzamide

V020-0124 Screening compound: N-(3-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-4-methoxyphenyl)-3-(trifluoromethyl)benzamide
V020-0124 Screening compound: N-(3-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-4-methoxyphenyl)-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-0124
N-(3-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-4-methoxyphenyl)-3-(trifluoromethyl)benzamide

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

V020-0124

Molecular Formula

C26H23F4N3O3 (C26 H23 F4 N3 O3)

Compound Name

N-(3-{3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-4-methoxyphenyl)-3-(trifluoromethyl)benzamide

IUPAC name

N-(3-{3-[(2-fluorophenyl)methyl]-2-oxo-13-diazinan-1-yl}-4-methoxyphenyl)-3-(trifluoromethyl)benzamide

SMILES

COc(ccc(NC(c1cc(C(F)(F)F)ccc1)=O)c1)c1N(CCCN1Cc(cccc2)c2F)C1=O

InChI

InChI=1S/C26H23F4N3O3/c1-36-23-11-10-20(31-24(34)17-7-4-8-19(14-17)26(28,29)30)15-22(23)33-13-5-12-32(25(33)35)16-18-6-2-3-9-21(18)27/h2-4,6-11,14-15H,5,12-13,16H2,1H3,(H,31,34)

InChI Key

XSDFGOUGSLGRHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19931723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.471

Distribution Coefficient, logD

5.467

Water Solubility, LogSw

-5.54

Polar Surface Area

50.218

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with V020-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-0124?
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What is the minimum amount of V020-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-0124
  • 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 V020-0124 available by request