K891-0104 Screening compound: 3-amino-4-(4-chlorophenyl)-N~2~-(3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound K891-0104
3-amino-4-(4-chlorophenyl)-N~2~-(3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-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
K891-0104
Molecular Formula
C24H20ClN3O2S (C24 H20 ClN3 O2 S)
Compound Name
3-amino-4-(4-chlorophenyl)-N~2~-(3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
IUPAC name
6-amino-8-(4-chlorophenyl)-N-(3-methoxyphenyl)-4-thia-2-azatricyclo[7.3.0.0^{37}]dodeca-1(9)257-tetraene-5-carboxamide
SMILES
COc1cccc(NC(c(sc2nc(CCC3)c3c(-c(cc3)ccc3Cl)c22)c2N)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
449.96
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
6.095
Distribution Coefficient, logD
6.095
Water Solubility, LogSw
-6.26
Polar Surface Area
61.496
Acid Dissociation Constant (pKa)
11.43
Base Dissociation Constant (pKb)
4.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
16.70
K891-0104 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 K891-0104 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)