D077-0172 Screening compound: 5-(4-chlorophenyl)-6-ethyl-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
Chemical Structure Depiction of ChemDiv screening compound D077-0172
5-(4-chlorophenyl)-6-ethyl-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
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
D077-0172
Molecular Formula
C16H16ClN3O2 (C16 H16 ClN3 O2)
Compound Name
5-(4-chlorophenyl)-6-ethyl-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
IUPAC name
5-(4-chlorophenyl)-6-ethyl-13-dimethyl-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione
SMILES
CCn(cc1N(C)C(N2C)=O)c(-c(cc3)ccc3Cl)c1C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
317.77
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.803
Distribution Coefficient, logD
2.803
Water Solubility, LogSw
-3.69
Polar Surface Area
32.324
Acid Dissociation Constant (pKa)
28.14
Base Dissociation Constant (pKb)
-0.77
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
25.00
D077-0172 in Drug Discovery
Included in Screening Libraries
Anti-Aging Library (44940 compounds)
Purinergic Library (3321 compounds)
Targeted Diversity Library (40567 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Nervous system
- Cardiovascular
- Metabolic
- Epigenetic
- Receptor's ligands
- GPCR
- Ion Channels
References: we are preparing a list of scientific research reports with D077-0172 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)