3132-0149 Screening compound: 6-amino-3-tert-butyl-4-(2-methoxyphenyl)-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of ChemDiv screening compound 3132-0149
6-amino-3-tert-butyl-4-(2-methoxyphenyl)-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
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
3132-0149
Molecular Formula
C18H20N4O2 (C18 H20 N4 O2)
Compound Name
6-amino-3-tert-butyl-4-(2-methoxyphenyl)-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC name
6-amino-3-tert-butyl-4-(2-methoxyphenyl)-2H4H-pyrano[23-c]pyrazole-5-carbonitrile
SMILES
CC(C)(C)c1c(C(c(cccc2)c2OC)C(C#N)=C(N)O2)c2n[nH]1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
324.38
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.197
Distribution Coefficient, logD
3.197
Water Solubility, LogSw
-3.56
Polar Surface Area
78.375
Acid Dissociation Constant (pKa)
14.79
Base Dissociation Constant (pKb)
0.15
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
33.30
References: we are preparing a list of scientific research reports with 3132-0149 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)