V002-5085 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl]({[4-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-[2-(morpholin-4-yl)ethyl]-1,3-oxazole-4-carboxamide

V002-5085 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl]({[4-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-[2-(morpholin-4-yl)ethyl]-1,3-oxazole-4-carboxamide
V002-5085 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl]({[4-(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 V002-5085
2-({[(2H-1,3-benzodioxol-5-yl)methyl]({[4-(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

V002-5085

Molecular Formula

C27H29F3N4O5 (C27 H29 F3 N4 O5)

Compound Name

2-({[(2H-1,3-benzodioxol-5-yl)methyl]({[4-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-[2-(morpholin-4-yl)ethyl]-1,3-oxazole-4-carboxamide

IUPAC name

2-({[(2H-13-benzodioxol-5-yl)methyl]({[4-(trifluoromethyl)phenyl]methyl})amino}methyl)-N-[2-(morpholin-4-yl)ethyl]-13-oxazole-4-carboxamide

SMILES

O=C(c1coc(CN(Cc2ccc(C(F)(F)F)cc2)Cc(cc2)cc3c2OCO3)n1)NCCN1CCOCC1

InChI

InChI=1S/C27H29F3N4O5/c28-27(29,30)21-4-1-19(2-5-21)14-34(15-20-3-6-23-24(13-20)39-18-38-23)16-25-32-22(17-37-25)26(35)31-7-8-33-9-11-36-12-10-33/h1-6,13,17H,7-12,14-16,18H2,(H,31,35)

InChI Key

SEQFZXOTQGSNND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19830206

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

546.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.119

Distribution Coefficient, logD

3.089

Water Solubility, LogSw

-3.27

Polar Surface Area

75.346

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

V002-5085 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V002-5085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-5085?
Check Price and Availability of V002-5085, 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 V002-5085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-5085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-5085
  • 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 V002-5085 available by request