V003-6729 Screening compound: 1-[(3-cyanophenyl)methyl]-4-(3,5-dimethylphenyl)-1H-indol-5-yl N,N-diethylcarbamate
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 Key
MDL Number (MFCD)
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
- 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
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)