V006-8845 Screening compound: N-[2-(dimethylamino)ethyl]-2-({[2-(1H-indol-3-yl)ethyl]({[4-(trifluoromethyl)phenyl]methyl})amino}methyl)-1,3-oxazole-4-carboxamide

V006-8845 Screening compound: N-[2-(dimethylamino)ethyl]-2-({[2-(1H-indol-3-yl)ethyl]({[4-(trifluoromethyl)phenyl]methyl})amino}methyl)-1,3-oxazole-4-carboxamide
V006-8845 Screening compound: N-[2-(dimethylamino)ethyl]-2-({[2-(1H-indol-3-yl)ethyl]({[4-(trifluoromethyl)phenyl]methyl})amino}methyl)-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-8845
N-[2-(dimethylamino)ethyl]-2-({[2-(1H-indol-3-yl)ethyl]({[4-(trifluoromethyl)phenyl]methyl})amino}methyl)-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

V006-8845

Molecular Formula

C27H30F3N5O2 (C27 H30 F3 N5 O2)

Compound Name

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

IUPAC name

N-[2-(dimethylamino)ethyl]-2-({[2-(1H-indol-3-yl)ethyl]({[4-(trifluoromethyl)phenyl]methyl})amino}methyl)-13-oxazole-4-carboxamide

SMILES

CN(C)CCNC(c1coc(CN(CCc2c[nH]c3c2cccc3)Cc2ccc(C(F)(F)F)cc2)n1)=O

InChI

InChI=1S/C27H30F3N5O2/c1-34(2)14-12-31-26(36)24-18-37-25(33-24)17-35(16-19-7-9-21(10-8-19)27(28,29)30)13-11-20-15-32-23-6-4-3-5-22(20)23/h3-10,15,18,32H,11-14,16-17H2,1-2H3,(H,31,36)

InChI Key

MRXPAMPFGMOAAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19838843

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

513.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.882

Distribution Coefficient, logD

2.741

Water Solubility, LogSw

-3.96

Polar Surface Area

60.326

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V006-8845 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Indole Derivatives (10091 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V006-8845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-8845?
Check Price and Availability of V006-8845, 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 V006-8845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-8845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-8845
  • 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 V006-8845 available by request