K805-0931 Screening compound: 2,3-dimethoxy-5-[9-methoxy-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether
Chemical Structure Depiction of ChemDiv screening compound K805-0931
2,3-dimethoxy-5-[9-methoxy-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether
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
K805-0931
Molecular Formula
C27H28N2O6 (C27 H28 N2 O6)
Compound Name
2,3-dimethoxy-5-[9-methoxy-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether
IUPAC name
12-methoxy-4-(4-methoxyphenyl)-7-(345-trimethoxyphenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene
SMILES
COc(cc1)ccc1C(CC12)=NN1C(c(cc1OC)cc(OC)c1OC)Oc(cc1)c2cc1OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
476.53
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
5.009
Distribution Coefficient, logD
5.009
Water Solubility, LogSw
-4.76
Polar Surface Area
60.111
Acid Dissociation Constant (pKa)
17.24
Base Dissociation Constant (pKb)
3.87
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
29.60
K805-0931 in Drug Discovery
Included in Screening Libraries
Antimitotic Tubulin Library (17355 compounds)
Akt-Targeted Library (14764 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
References: we are preparing a list of scientific research reports with K805-0931 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)