V020-3654 Screening compound: N-(4-methoxy-3-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-(trifluoromethyl)benzamide

V020-3654 Screening compound: N-(4-methoxy-3-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-(trifluoromethyl)benzamide
V020-3654 Screening compound: N-(4-methoxy-3-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-3654
N-(4-methoxy-3-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-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

V020-3654

Molecular Formula

C27H26F3N3O3 (C27 H26 F3 N3 O3)

Compound Name

N-(4-methoxy-3-{3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-(trifluoromethyl)benzamide

IUPAC name

N-(4-methoxy-3-{3-[(3-methylphenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)-3-(trifluoromethyl)benzamide

SMILES

Cc1cccc(CN(CCCN2c(cc(cc3)NC(c4cccc(C(F)(F)F)c4)=O)c3OC)C2=O)c1

InChI

InChI=1S/C27H26F3N3O3/c1-18-6-3-7-19(14-18)17-32-12-5-13-33(26(32)35)23-16-22(10-11-24(23)36-2)31-25(34)20-8-4-9-21(15-20)27(28,29)30/h3-4,6-11,14-16H,5,12-13,17H2,1-2H3,(H,31,34)

InChI Key

KHEJKCAPQUVXHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19931748

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

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.691

Distribution Coefficient, logD

5.688

Water Solubility, LogSw

-5.51

Polar Surface Area

50.218

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V020-3654 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V020-3654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-3654?
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What is the minimum amount of V020-3654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-3654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-3654
  • 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 V020-3654 available by request