D051-0197 Screening compound: 3,4-dichloro-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-[(5-methyl-2-furyl)methyl]-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound D051-0197
3,4-dichloro-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-[(5-methyl-2-furyl)methyl]-1-benzothiophene-2-carboxamide
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
D051-0197
Molecular Formula
C19H17Cl2NO4S2 (C19 H17 Cl2 NO4 S2)
Compound Name
3,4-dichloro-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-[(5-methyl-2-furyl)methyl]-1-benzothiophene-2-carboxamide
IUPAC name
34-dichloro-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
SMILES
Cc1ccc(CN(C(CC2)CS2(=O)=O)C(c(sc2cccc(Cl)c22)c2Cl)=O)o1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
458.39
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.292
Distribution Coefficient, logD
4.292
Water Solubility, LogSw
-4.48
Polar Surface Area
51.869
Acid Dissociation Constant (pKa)
20.33
Base Dissociation Constant (pKb)
-4.83
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
31.60
D051-0197 in Drug Discovery
Included in Screening Libraries
Regenerative Medicine Focused Library (23016 compounds)
Included in 1.7M Stock Database
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
References: we are preparing a list of scientific research reports with D051-0197 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)