C390-0098 Screening compound: 5-(4-bromophenyl)-3-(4-ethoxyphenyl)-4-(3-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
Chemical Structure Depiction of ChemDiv screening compound C390-0098
5-(4-bromophenyl)-3-(4-ethoxyphenyl)-4-(3-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-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
C390-0098
Molecular Formula
C26H22BrN3O3 (C26 H22 BrN3 O3)
Compound Name
5-(4-bromophenyl)-3-(4-ethoxyphenyl)-4-(3-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
IUPAC name
5-(4-bromophenyl)-3-(4-ethoxyphenyl)-4-(3-methoxyphenyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one
SMILES
CCOc(cc1)ccc1-c1n[nH]c(C2=O)c1C(c1cc(OC)ccc1)N2c(cc1)ccc1Br
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
504.38
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.911
Distribution Coefficient, logD
5.911
Water Solubility, LogSw
-5.54
Polar Surface Area
54.194
Acid Dissociation Constant (pKa)
11.45
Base Dissociation Constant (pKb)
-3.77
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
15.40
C390-0098 in Drug Discovery
Included in Screening Libraries
Anti-infective Library (19449 compounds)
Antimitotic Tubulin Library (17355 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Cancer
- PPI modulators
References: we are preparing a list of scientific research reports with C390-0098 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)