V004-0164 Screening compound: benzyl N-{3-oxo-3-[2-({[3-(trifluoromethyl)phenyl]methoxy}methyl)morpholin-4-yl]propyl}carbamate

V004-0164 Screening compound: benzyl N-{3-oxo-3-[2-({[3-(trifluoromethyl)phenyl]methoxy}methyl)morpholin-4-yl]propyl}carbamate
V004-0164 Screening compound: benzyl N-{3-oxo-3-[2-({[3-(trifluoromethyl)phenyl]methoxy}methyl)morpholin-4-yl]propyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0164
benzyl N-{3-oxo-3-[2-({[3-(trifluoromethyl)phenyl]methoxy}methyl)morpholin-4-yl]propyl}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

V004-0164

Molecular Formula

C24H27F3N2O5 (C24 H27 F3 N2 O5)

Compound Name

benzyl N-{3-oxo-3-[2-({[3-(trifluoromethyl)phenyl]methoxy}methyl)morpholin-4-yl]propyl}carbamate

IUPAC name

benzyl N-{3-oxo-3-[2-({[3-(trifluoromethyl)phenyl]methoxy}methyl)morpholin-4-yl]propyl}carbamate

SMILES

O=C(CCNC(OCc1ccccc1)=O)N1CC(COCc2cccc(C(F)(F)F)c2)OCC1

InChI

InChI=1S/C24H27F3N2O5/c25-24(26,27)20-8-4-7-19(13-20)15-32-17-21-14-29(11-12-33-21)22(30)9-10-28-23(31)34-16-18-5-2-1-3-6-18/h1-8,13,21H,9-12,14-17H2,(H,28,31)/t21-/m1/s1

InChI Key

ZYYLBEDESDLWHT-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19962776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.271

Distribution Coefficient, logD

3.271

Water Solubility, LogSw

-3.44

Polar Surface Area

65.535

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

V004-0164 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V004-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0164?
Check Price and Availability of V004-0164, 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 V004-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0164
  • 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 V004-0164 available by request