7165-0582 Screening compound: 2-{[(2Z)-5,6-dimethyl-3-(3-sulfonatopropyl)-2H,3H-thieno[2,3-d][1,3]thiazol-2-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium
Chemical Structure Depiction of ChemDiv screening compound 7165-0582
2-{[(2Z)-5,6-dimethyl-3-(3-sulfonatopropyl)-2H,3H-thieno[2,3-d][1,3]thiazol-2-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium
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
7165-0582
Molecular Formula
C19H20N2O3S4 (C19 H20 N2 O3 S4)
Compound Name
2-{[(2Z)-5,6-dimethyl-3-(3-sulfonatopropyl)-2H,3H-thieno[2,3-d][1,3]thiazol-2-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium
IUPAC name
2-{[(2Z)-56-dimethyl-3-(3-sulfonatopropyl)-2H3H-thieno[23-d][13]thiazol-2-ylidene]methyl}-3-methyl-13-benzothiazol-3-ium
SMILES
Cc1c(C)sc(N2CCCS([O-])(=O)=O)c1S/C2=C\c1[n+](C)c(cccc2)c2s1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
452.64
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.488
Distribution Coefficient, logD
3.488
Water Solubility, LogSw
-3.59
Polar Surface Area
46.992
Acid Dissociation Constant (pKa)
22.05
Base Dissociation Constant (pKb)
-4.16
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
31.60
7165-0582 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Akt-Targeted Library (14764 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
References: we are preparing a list of scientific research reports with 7165-0582 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)