8020-8690 Screening compound: 3-formyl-1-methoxy-2-(4-methylphenyl)-1H-indole-5,6-dicarbonitrile
Chemical Structure Depiction of ChemDiv screening compound 8020-8690
3-formyl-1-methoxy-2-(4-methylphenyl)-1H-indole-5,6-dicarbonitrile
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
8020-8690
Molecular Formula
C19H13N3O2 (C19 H13 N3 O2)
Compound Name
3-formyl-1-methoxy-2-(4-methylphenyl)-1H-indole-5,6-dicarbonitrile
IUPAC name
3-formyl-1-methoxy-2-(4-methylphenyl)-1H-indole-56-dicarbonitrile
SMILES
Cc(cc1)ccc1-c1c(C=O)c(cc(c(C#N)c2)C#N)c2n1OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
315.33
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.460
Distribution Coefficient, logD
3.460
Water Solubility, LogSw
-3.64
Polar Surface Area
57.904
Acid Dissociation Constant (pKa)
28.80
Base Dissociation Constant (pKb)
-2.43
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
10.53
8020-8690 in Drug Discovery
Included in Screening Libraries
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 8020-8690 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)