V010-9825 Screening compound: 4-[3,5-bis(trifluoromethyl)benzamido]-1-[(3,5-dimethylphenyl)methyl]-1H-indol-5-yl N,N-diethylcarbamate

V010-9825 Screening compound: 4-[3,5-bis(trifluoromethyl)benzamido]-1-[(3,5-dimethylphenyl)methyl]-1H-indol-5-yl N,N-diethylcarbamate
V010-9825 Screening compound: 4-[3,5-bis(trifluoromethyl)benzamido]-1-[(3,5-dimethylphenyl)methyl]-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9825
4-[3,5-bis(trifluoromethyl)benzamido]-1-[(3,5-dimethylphenyl)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

V010-9825

Molecular Formula

C31H29F6N3O3 (C31 H29 F6 N3 O3)

Compound Name

4-[3,5-bis(trifluoromethyl)benzamido]-1-[(3,5-dimethylphenyl)methyl]-1H-indol-5-yl N,N-diethylcarbamate

IUPAC name

4-[35-bis(trifluoromethyl)benzamido]-1-[(35-dimethylphenyl)methyl]-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc1cc(C)cc(C)c1)c2NC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=O)=O

InChI

InChI=1S/C31H29F6N3O3/c1-5-39(6-2)29(42)43-26-8-7-25-24(9-10-40(25)17-20-12-18(3)11-19(4)13-20)27(26)38-28(41)21-14-22(30(32,33)34)16-23(15-21)31(35,36)37/h7-16H,5-6,17H2,1-4H3,(H,38,41)

InChI Key

PWDMDFQPGSITOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

605.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.816

Distribution Coefficient, logD

7.806

Water Solubility, LogSw

-5.87

Polar Surface Area

45.740

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

V010-9825 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 V010-9825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9825?
Check Price and Availability of V010-9825, 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 V010-9825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9825
  • 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 V010-9825 available by request