G786-0978 Screening compound: N-(2-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine
Chemical Structure Depiction of ChemDiv screening compound G786-0978
N-(2-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine
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
G786-0978
Molecular Formula
C17H16FN3S (C17 H16 FN3 S)
Compound Name
N-(2-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine
IUPAC name
N-(2-fluorophenyl)-5-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-amine
SMILES
Cc1nc(Nc(cccc2)c2F)c(c(CCCC2)c2s2)c2n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
313.4
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
5.046
Distribution Coefficient, logD
5.026
Water Solubility, LogSw
-4.87
Polar Surface Area
28.302
Acid Dissociation Constant (pKa)
14.66
Base Dissociation Constant (pKb)
6.07
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
29.40
G786-0978 in Drug Discovery
Included in Screening Libraries
Antifungal Library (16415 compounds)
CNS BBB Library (22607 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Nervous system
- Agro
References: we are preparing a list of scientific research reports with G786-0978 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)