3394-0379 Screening compound: 4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl furan-2-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 3394-0379
4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl furan-2-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
3394-0379
Molecular Formula
C26H18N4O7 (C26 H18 N4 O7)
Compound Name
4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl furan-2-carboxylate
IUPAC name
4-[6-amino-3-(2H-13-benzodioxol-5-yl)-5-cyano-1H4H-pyrano[23-c]pyrazol-4-yl]-2-methoxyphenyl furan-2-carboxylate
SMILES
COc(cc(C1C(C#N)=C(N)Oc2c1c(-c(cc1)cc3c1OCO3)n[nH]2)cc1)c1OC(c1ccco1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
498.45
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
11
Partition Coefficient, logP
3.184
Distribution Coefficient, logD
3.184
Water Solubility, LogSw
-3.49
Polar Surface Area
124.262
Acid Dissociation Constant (pKa)
12.05
Base Dissociation Constant (pKb)
-1.51
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
11.50
References: we are preparing a list of scientific research reports with 3394-0379 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)