D304-0008 Screening compound: methyl 5'-(2,2-dimethylpropanamido)-[2,3'-bithiophene]-4'-carboxylate
Chemical Structure Depiction of ChemDiv screening compound D304-0008
methyl 5'-(2,2-dimethylpropanamido)-[2,3'-bithiophene]-4'-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
D304-0008
Molecular Formula
C15H17NO3S2 (C15 H17 NO3 S2)
Compound Name
methyl 5'-(2,2-dimethylpropanamido)-[2,3'-bithiophene]-4'-carboxylate
IUPAC name
methyl 5'-(22-dimethylpropanamido)-[23'-bithiophene]-4'-carboxylate
SMILES
CC(C)(C)C(Nc1c(C(OC)=O)c(-c2cccs2)cs1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
323.44
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.587
Distribution Coefficient, logD
3.521
Water Solubility, LogSw
-3.92
Polar Surface Area
45.316
Acid Dissociation Constant (pKa)
8.18
Base Dissociation Constant (pKb)
-7.88
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
33.30
D304-0008 in Drug Discovery
Included in Screening Libraries
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Agro
References: we are preparing a list of scientific research reports with D304-0008 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)