8016-9460 Screening compound: 4-(7,8,9,10-tetrahydro[1,2,4]triazolo[3'',4'':6',1']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine
Chemical Structure Depiction of ChemDiv screening compound 8016-9460
4-(7,8,9,10-tetrahydro[1,2,4]triazolo[3'',4'':6',1']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine
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
8016-9460
Molecular Formula
C18H18N6OS (C18 H18 N6 OS)
Compound Name
4-(7,8,9,10-tetrahydro[1,2,4]triazolo[3'',4'':6',1']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine
IUPAC name
14-(morpholin-4-yl)-11-thia-357813-pentaazapentacyclo[10.8.0.0^{210}.0^{59}.0^{1520}]icosa-1(12)2(10)3681315(20)-heptaene
SMILES
C1Cc2c(c(ncn3c4nnc3)c4s3)c3nc(N3CCOCC3)c2CC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
366.45
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.784
Distribution Coefficient, logD
2.776
Water Solubility, LogSw
-3.10
Polar Surface Area
53.681
Acid Dissociation Constant (pKa)
21.61
Base Dissociation Constant (pKb)
5.67
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
44.44
8016-9460 in Drug Discovery
Included in Screening Libraries
Anti-infective Library (19449 compounds)
Akt-Targeted Library (14764 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
References: we are preparing a list of scientific research reports with 8016-9460 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)