K891-0438 Screening compound: 3-amino-4-(4-methylphenyl)-N~2~-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound K891-0438
3-amino-4-(4-methylphenyl)-N~2~-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[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
K891-0438
Molecular Formula
C23H22N4OS2 (C23 H22 N4 OS2)
Compound Name
3-amino-4-(4-methylphenyl)-N~2~-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
IUPAC name
6-amino-8-(4-methylphenyl)-N-(13-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.0^{37}]tetradeca-1(9)257-tetraene-5-carboxamide
SMILES
Cc(cc1)ccc1-c1c(c(N)c(C(Nc2nccs2)=O)s2)c2nc2c1CCCCC2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
434.59
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
6.130
Distribution Coefficient, logD
6.128
Water Solubility, LogSw
-5.69
Polar Surface Area
64.396
Acid Dissociation Constant (pKa)
9.94
Base Dissociation Constant (pKb)
4.39
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
26.10
K891-0438 in Drug Discovery
Included in Screening Libraries
Angiogenesis library (14822 compounds)
Protein-Protein Interaction Library (218420 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Cancer
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- PPI modulators
- PPI modulators
- Proteases
- Mimetics
References: we are preparing a list of scientific research reports with K891-0438 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)