D148-0065 Screening compound: 7-methyl-3-(3-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of ChemDiv screening compound D148-0065
7-methyl-3-(3-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
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
D148-0065
Molecular Formula
C15H9N5O3S (C15 H9 N5 O3 S)
Compound Name
7-methyl-3-(3-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
IUPAC name
11-methyl-5-(3-nitrophenyl)-8-thia-34510-tetraazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-6-one
SMILES
Cc1ccc(c(N=NN(c2cc([N+]([O-])=O)ccc2)C2=O)c2s2)c2n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
339.33
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.845
Distribution Coefficient, logD
3.845
Water Solubility, LogSw
-4.07
Polar Surface Area
80.170
Acid Dissociation Constant (pKa)
29.82
Base Dissociation Constant (pKb)
2.95
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
6.70
D148-0065 in Drug Discovery
Included in Screening Libraries
Anti-Inflammatory Library (24602 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
- Immune system
References: we are preparing a list of scientific research reports with D148-0065 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of D148-0065, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)