G381-0087 Screening compound: 5-(3-{[(3,4-dimethylphenyl)amino]methyl}-1H-indol-1-yl)thiophene-2-carboxylic acid
Chemical Structure Depiction of ChemDiv screening compound G381-0087
5-(3-{[(3,4-dimethylphenyl)amino]methyl}-1H-indol-1-yl)thiophene-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
G381-0087
Molecular Formula
C22H20N2O2S (C22 H20 N2 O2 S)
Compound Name
5-(3-{[(3,4-dimethylphenyl)amino]methyl}-1H-indol-1-yl)thiophene-2-carboxylic acid
IUPAC name
5-(3-{[(34-dimethylphenyl)amino]methyl}-1H-indol-1-yl)thiophene-2-carboxylic acid
SMILES
Cc(cc1)c(C)cc1NCc1cn(-c2ccc(C(O)=O)s2)c2c1cccc2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
376.48
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
5.769
Distribution Coefficient, logD
1.034
Water Solubility, LogSw
-5.31
Polar Surface Area
42.442
Acid Dissociation Constant (pKa)
2.66
Base Dissociation Constant (pKb)
4.60
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
13.60
G381-0087 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
KRAS-Targeted Library (16000 compounds)
Protein-Protein Interaction Library (218420 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- 3D
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Kinases
- Phosphatases
- PPI modulators
References: we are preparing a list of scientific research reports with G381-0087 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)