D046-0059 Screening compound: benzyl 3,6-dihydroxy-6-methyl-4-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Chemical Structure Depiction of ChemDiv screening compound D046-0059
benzyl 3,6-dihydroxy-6-methyl-4-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
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
D046-0059
Molecular Formula
C25H28N2O4 (C25 H28 N2 O4)
Compound Name
benzyl 3,6-dihydroxy-6-methyl-4-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
IUPAC name
benzyl 36-dihydroxy-6-methyl-4-[4-(propan-2-yl)phenyl]-4567-tetrahydro-1H-indazole-5-carboxylate
SMILES
CC(C)c1ccc(C(C(C(C)(C2)O)C(OCc3ccccc3)=O)c3c2[nH]nc3O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
420.51
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.382
Distribution Coefficient, logD
3.796
Water Solubility, LogSw
-4.45
Polar Surface Area
77.293
Acid Dissociation Constant (pKa)
6.94
Base Dissociation Constant (pKb)
-1.67
Number of Chiral Centers
3.00
Percent sp3 carbon bonding
36.00
References: we are preparing a list of scientific research reports with D046-0059 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)