D361-2606 Screening compound: 4-(2,5-difluorophenyl)-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
Chemical Structure Depiction of ChemDiv screening compound D361-2606
4-(2,5-difluorophenyl)-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-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
D361-2606
Molecular Formula
C13H11F2N3OS (C13 H11 F2 N3 OS)
Compound Name
4-(2,5-difluorophenyl)-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
IUPAC name
4-(25-difluorophenyl)-3-methyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one
SMILES
Cc1n[nH]c(N2)c1C(c(cc(cc1)F)c1F)SCC2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
295.31
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.295
Distribution Coefficient, logD
2.295
Water Solubility, LogSw
-2.94
Polar Surface Area
49.033
Acid Dissociation Constant (pKa)
10.70
Base Dissociation Constant (pKb)
-2.43
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
23.10
D361-2606 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
Chelators targeting matrix metalloproteinases library (8930 compounds)
Fragments Library (11262 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Protein-Protein Interaction Library (218420 compounds)
Targeted Diversity Library (40567 compounds)
Akt-Targeted Library (14764 compounds)
Epigenetics Focused Set (26518 compounds)
New Agro Library (44492 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Cancer
- Cancer
- Digestive system
- Cardiovascular
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Proteases
- Others
- Kinases
- Fragments
- Mimetics
- Epigenetic
- PPI modulators
- PPI modulators
- Agro
References: we are preparing a list of scientific research reports with D361-2606 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)