V011-0181 Screening compound: 1-{[2,5-bis(trifluoromethyl)phenyl]methyl}-4-(4-methylphenyl)-1H-indol-5-yl N,N-diethylcarbamate

V011-0181 Screening compound: 1-{[2,5-bis(trifluoromethyl)phenyl]methyl}-4-(4-methylphenyl)-1H-indol-5-yl N,N-diethylcarbamate
V011-0181 Screening compound: 1-{[2,5-bis(trifluoromethyl)phenyl]methyl}-4-(4-methylphenyl)-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-0181
1-{[2,5-bis(trifluoromethyl)phenyl]methyl}-4-(4-methylphenyl)-1H-indol-5-yl N,N-diethylcarbamate

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

V011-0181

Molecular Formula

C29H26F6N2O2 (C29 H26 F6 N2 O2)

Compound Name

1-{[2,5-bis(trifluoromethyl)phenyl]methyl}-4-(4-methylphenyl)-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

1-{[25-bis(trifluoromethyl)phenyl]methyl}-4-(4-methylphenyl)-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc1c(C(F)(F)F)ccc(C(F)(F)F)c1)c2-c1ccc(C)cc1)=O

InChI

InChI=1S/C29H26F6N2O2/c1-4-36(5-2)27(38)39-25-13-12-24-22(26(25)19-8-6-18(3)7-9-19)14-15-37(24)17-20-16-21(28(30,31)32)10-11-23(20)29(33,34)35/h6-16H,4-5,17H2,1-3H3

InChI Key

FVFBGAUIVGMKBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19943076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.387

Distribution Coefficient, logD

8.387

Water Solubility, LogSw

-6.01

Polar Surface Area

23.773

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

V011-0181 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V011-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-0181?
Check Price and Availability of V011-0181, 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 V011-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-0181
  • 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 V011-0181 available by request