8013-1693 Screening compound: N-(3,4-difluorophenyl)-2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of ChemDiv screening compound 8013-1693
N-(3,4-difluorophenyl)-2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide
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
8013-1693
Molecular Formula
C20H17F2N5OS (C20 H17 F2 N5 OS)
Compound Name
N-(3,4-difluorophenyl)-2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide
IUPAC name
N-(34-difluorophenyl)-2-({5-propyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)acetamide
SMILES
CCCn1c2nc(SCC(Nc(cc3)cc(F)c3F)=O)nnc2c2c1cccc2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
413.45
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.526
Distribution Coefficient, logD
4.518
Water Solubility, LogSw
-4.23
Polar Surface Area
56.106
Acid Dissociation Constant (pKa)
9.12
Base Dissociation Constant (pKb)
-0.41
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
20.00
References: we are preparing a list of scientific research reports with 8013-1693 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)