V001-6939 Screening compound: ethyl 2-(5-ethoxy-5-oxopentanamido)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound V001-6939
ethyl 2-(5-ethoxy-5-oxopentanamido)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-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
V001-6939
Molecular Formula
C21H31NO5S (C21 H31 NO5 S)
Compound Name
ethyl 2-(5-ethoxy-5-oxopentanamido)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
IUPAC name
ethyl 2-(5-ethoxy-5-oxopentanamido)-6-propyl-4567-tetrahydro-1-benzothiophene-3-carboxylate
SMILES
CCCC(CC1)Cc2c1c(C(OCC)=O)c(NC(CCCC(OCC)=O)=O)s2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
409.55
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
13.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.420
Distribution Coefficient, logD
2.096
Water Solubility, LogSw
-4.32
Polar Surface Area
64.015
Acid Dissociation Constant (pKa)
5.08
Base Dissociation Constant (pKb)
-5.07
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
66.70
V001-6939 in Drug Discovery
Included in Screening Libraries
Autophagy-Targeted Library (4564 compounds)
Included in 1.7M Stock Database
- Infections
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
References: we are preparing a list of scientific research reports with V001-6939 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)