K310-0097 Screening compound: N~7~-(3-chlorophenyl)-2-(5-chloro-2-thienyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
Chemical Structure Depiction of ChemDiv screening compound K310-0097
N~7~-(3-chlorophenyl)-2-(5-chloro-2-thienyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-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
K310-0097
Molecular Formula
C20H12Cl2N4O2S3 (C20 H12 Cl2 N4 O2 S3)
Compound Name
N~7~-(3-chlorophenyl)-2-(5-chloro-2-thienyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
IUPAC name
N-(3-chlorophenyl)-12-(5-chlorothiophen-2-yl)-4-methyl-2-oxo-610-dithia-1813-triazatricyclo[7.4.0.0^{37}]trideca-3(7)4812-tetraene-5-carboxamide
SMILES
Cc1c(C(Nc2cccc(Cl)c2)=O)sc(N=C2SCC(c(s3)ccc3Cl)=NN22)c1C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
507.44
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.660
Distribution Coefficient, logD
5.598
Water Solubility, LogSw
-6.08
Polar Surface Area
61.575
Acid Dissociation Constant (pKa)
8.22
Base Dissociation Constant (pKb)
4.25
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
10.00
K310-0097 in Drug Discovery
Included in Screening Libraries
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with K310-0097 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)