V008-4201 Screening compound: 4-(3,5-dimethylphenyl)-1-{[2-(trifluoromethoxy)phenyl]methyl}-1H-indol-5-yl N,N-diethylcarbamate

V008-4201 Screening compound: 4-(3,5-dimethylphenyl)-1-{[2-(trifluoromethoxy)phenyl]methyl}-1H-indol-5-yl N,N-diethylcarbamate
V008-4201 Screening compound: 4-(3,5-dimethylphenyl)-1-{[2-(trifluoromethoxy)phenyl]methyl}-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4201
4-(3,5-dimethylphenyl)-1-{[2-(trifluoromethoxy)phenyl]methyl}-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

V008-4201

Molecular Formula

C29H29F3N2O3 (C29 H29 F3 N2 O3)

Compound Name

4-(3,5-dimethylphenyl)-1-{[2-(trifluoromethoxy)phenyl]methyl}-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

4-(35-dimethylphenyl)-1-{[2-(trifluoromethoxy)phenyl]methyl}-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc(cccc1)c1OC(F)(F)F)c2-c1cc(C)cc(C)c1)=O

InChI

InChI=1S/C29H29F3N2O3/c1-5-33(6-2)28(35)36-26-12-11-24-23(27(26)22-16-19(3)15-20(4)17-22)13-14-34(24)18-21-9-7-8-10-25(21)37-29(30,31)32/h7-17H,5-6,18H2,1-4H3

InChI Key

ZOWXGDRUFNFRHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19943078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.947

Distribution Coefficient, logD

7.947

Water Solubility, LogSw

-5.81

Polar Surface Area

29.796

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

V008-4201 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 V008-4201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4201?
Check Price and Availability of V008-4201, 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 V008-4201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4201
  • 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 V008-4201 available by request