V003-6729 Screening compound: 1-[(3-cyanophenyl)methyl]-4-(3,5-dimethylphenyl)-1H-indol-5-yl N,N-diethylcarbamate

V003-6729 Screening compound: 1-[(3-cyanophenyl)methyl]-4-(3,5-dimethylphenyl)-1H-indol-5-yl N,N-diethylcarbamate
V003-6729 Screening compound: 1-[(3-cyanophenyl)methyl]-4-(3,5-dimethylphenyl)-1H-indol-5-yl N,N-diethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-6729
1-[(3-cyanophenyl)methyl]-4-(3,5-dimethylphenyl)-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

V003-6729

Molecular Formula

C29H29N3O2 (C29 H29 N3 O2)

Compound Name

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

IUPAC name

1-[(3-cyanophenyl)methyl]-4-(35-dimethylphenyl)-1H-indol-5-yl NN-diethylcarbamate

SMILES

CCN(CC)C(Oc(ccc1c2ccn1Cc1cc(C#N)ccc1)c2-c1cc(C)cc(C)c1)=O

InChI

InChI=1S/C29H29N3O2/c1-5-31(6-2)29(33)34-27-11-10-26-25(28(27)24-15-20(3)14-21(4)16-24)12-13-32(26)19-23-9-7-8-22(17-23)18-30/h7-17H,5-6,19H2,1-4H3

InChI Key

ONEQGWDBLKNWBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.120

Distribution Coefficient, logD

6.120

Water Solubility, LogSw

-5.65

Polar Surface Area

40.829

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

V003-6729 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V003-6729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-6729?
Check Price and Availability of V003-6729, 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 V003-6729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-6729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-6729
  • 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 V003-6729 available by request