4469-0659 Screening compound: N-(4-methyl-5-{2-[(4-nitrophenyl)amino]-1,3-thiazol-4-yl}-1,3-thiazol-2-yl)benzamide
Chemical Structure Depiction of ChemDiv screening compound 4469-0659
N-(4-methyl-5-{2-[(4-nitrophenyl)amino]-1,3-thiazol-4-yl}-1,3-thiazol-2-yl)benzamide
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
4469-0659
Molecular Formula
C20H15N5O3S2 (C20 H15 N5 O3 S2)
Compound Name
N-(4-methyl-5-{2-[(4-nitrophenyl)amino]-1,3-thiazol-4-yl}-1,3-thiazol-2-yl)benzamide
IUPAC name
N-(4-methyl-5-{2-[(4-nitrophenyl)amino]-13-thiazol-4-yl}-13-thiazol-2-yl)benzamide
SMILES
Cc1c(-c2csc(Nc(cc3)ccc3[N+]([O-])=O)n2)sc(NC(c2ccccc2)=O)n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
437.5
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
5.721
Distribution Coefficient, logD
5.697
Water Solubility, LogSw
-5.58
Polar Surface Area
86.022
Acid Dissociation Constant (pKa)
8.64
Base Dissociation Constant (pKb)
2.60
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
5.00
4469-0659 in Drug Discovery
Included in Screening Libraries
PI3K-Targeted Library (17255 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
References: we are preparing a list of scientific research reports with 4469-0659 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)