L311-0304 Screening compound: methyl 5-{[(4-bromophenyl)carbamoyl]amino}-3-methoxy-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of ChemDiv screening compound L311-0304
methyl 5-{[(4-bromophenyl)carbamoyl]amino}-3-methoxy-1-benzothiophene-2-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
L311-0304
Molecular Formula
C18H15BrN2O4S (C18 H15 BrN2 O4 S)
Compound Name
methyl 5-{[(4-bromophenyl)carbamoyl]amino}-3-methoxy-1-benzothiophene-2-carboxylate
IUPAC name
methyl 5-{[(4-bromophenyl)carbamoyl]amino}-3-methoxy-1-benzothiophene-2-carboxylate
SMILES
COC(c(sc(cc1)c2cc1NC(Nc(cc1)ccc1Br)=O)c2OC)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
435.3
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.399
Distribution Coefficient, logD
5.399
Water Solubility, LogSw
-5.65
Polar Surface Area
62.179
Acid Dissociation Constant (pKa)
11.62
Base Dissociation Constant (pKb)
-1.09
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
11.10
L311-0304 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Targeted Diversity Library (40567 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Cancer
- Agro
References: we are preparing a list of scientific research reports with L311-0304 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)