6049-1703 Screening compound: methyl 4,5-dimethyl-2-(9H-xanthene-9-amido)thiophene-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 6049-1703
methyl 4,5-dimethyl-2-(9H-xanthene-9-amido)thiophene-3-carboxylate
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
6049-1703
Molecular Formula
C22H19NO4S (C22 H19 NO4 S)
Compound Name
methyl 4,5-dimethyl-2-(9H-xanthene-9-amido)thiophene-3-carboxylate
IUPAC name
methyl 45-dimethyl-2-(9H-xanthene-9-amido)thiophene-3-carboxylate
SMILES
Cc1c(C)sc(NC(C2c(cccc3)c3Oc3c2cccc3)=O)c1C(OC)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
393.46
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.520
Distribution Coefficient, logD
-1.950
Water Solubility, LogSw
-4.68
Polar Surface Area
51.111
Acid Dissociation Constant (pKa)
0.93
Base Dissociation Constant (pKb)
-2.80
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
18.20
6049-1703 in Drug Discovery
Included in Screening Libraries
DGK Inhibitors Library (10558 compounds)
Dark Chemical Matter Library (18430 compounds)
Eccentric PPI Library (11937 compounds)
Protein-Protein Interaction Library (218420 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Kinases
- Pool
- Cyclic compounds
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with 6049-1703 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)