V002-6346 Screening compound: 2-({[(3-chlorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-[2-(morpholin-4-yl)ethyl]-1,3-oxazole-4-carboxamide

V002-6346 Screening compound: 2-({[(3-chlorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-[2-(morpholin-4-yl)ethyl]-1,3-oxazole-4-carboxamide
V002-6346 Screening compound: 2-({[(3-chlorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-[2-(morpholin-4-yl)ethyl]-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-6346
2-({[(3-chlorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-[2-(morpholin-4-yl)ethyl]-1,3-oxazole-4-carboxamide

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

V002-6346

Molecular Formula

C26H28ClF3N4O3 (C26 H28 ClF3 N4 O3)

Compound Name

2-({[(3-chlorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-[2-(morpholin-4-yl)ethyl]-1,3-oxazole-4-carboxamide

IUPAC name

2-({[(3-chlorophenyl)methyl]({[3-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-[2-(morpholin-4-yl)ethyl]-13-oxazole-4-carboxamide

SMILES

O=C(c1coc(CN(Cc2cc(C(F)(F)F)ccc2)Cc2cccc(Cl)c2)n1)NCCN1CCOCC1

InChI

InChI=1S/C26H28ClF3N4O3/c27-22-6-2-4-20(14-22)16-34(15-19-3-1-5-21(13-19)26(28,29)30)17-24-32-23(18-37-24)25(35)31-7-8-33-9-11-36-12-10-33/h1-6,13-14,18H,7-12,15-17H2,(H,31,35)

InChI Key

NYKALOXVRIIPKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19833075

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

536.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.788

Distribution Coefficient, logD

3.757

Water Solubility, LogSw

-4.34

Polar Surface Area

58.230

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

V002-6346 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V002-6346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-6346?
Check Price and Availability of V002-6346, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V002-6346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-6346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-6346
  • 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 V002-6346 available by request