D692-0132 Screening compound: methyl 2-(2-{[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of ChemDiv screening compound D692-0132
methyl 2-(2-{[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamido)benzoate
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
D692-0132
Molecular Formula
C26H21N5O4S (C26 H21 N5 O4 S)
Compound Name
methyl 2-(2-{[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamido)benzoate
IUPAC name
methyl 2-(2-{[5-(4-methoxyphenyl)-[124]triazolo[43-c]quinazolin-3-yl]sulfanyl}acetamido)benzoate
SMILES
COC(c(cccc1)c1NC(CSc1nnc2n1c(-c(cc1)ccc1OC)nc1c2cccc1)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
499.55
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
4.567
Distribution Coefficient, logD
4.551
Water Solubility, LogSw
-4.37
Polar Surface Area
81.479
Acid Dissociation Constant (pKa)
8.92
Base Dissociation Constant (pKb)
5.29
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
11.50
D692-0132 in Drug Discovery
Included in Screening Libraries
Protein Kinases Inhibitors Library (36801 compounds)
Developmental Pathway (Hh/Wnt) Set (2238 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Cancer
- Digestive system
- Female
- Hemic and lymphatic
- Skin
- Kinases
- Others
References: we are preparing a list of scientific research reports with D692-0132 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)