E518-0494 Screening compound: 1-[(3-fluorophenyl)methyl]-3-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid
Chemical Structure Depiction of ChemDiv screening compound E518-0494
1-[(3-fluorophenyl)methyl]-3-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid
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
E518-0494
Molecular Formula
C23H21FN2O2S (C23 H21 FN2 O2 S)
Compound Name
1-[(3-fluorophenyl)methyl]-3-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid
IUPAC name
1-[(3-fluorophenyl)methyl]-3-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid
SMILES
OC(c1c(CNCCc2cccs2)c(cccc2)c2n1Cc1cc(F)ccc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
408.5
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
4.104
Distribution Coefficient, logD
4.104
Water Solubility, LogSw
-4.32
Polar Surface Area
41.502
Acid Dissociation Constant (pKa)
4.47
Base Dissociation Constant (pKb)
10.34
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
17.40
E518-0494 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
Antiviral Library (67538 compounds)
CORONAVIRUS Library (20774 compounds)
MCL1 Targeted Library (12200 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
References: we are preparing a list of scientific research reports with E518-0494 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)