G804-0924 Screening compound: 3-({5-oxo-6-[(thiophen-2-yl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzonitrile
Chemical Structure Depiction of ChemDiv screening compound G804-0924
3-({5-oxo-6-[(thiophen-2-yl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzonitrile
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
G804-0924
Molecular Formula
C19H14N4OS (C19 H14 N4 OS)
Compound Name
3-({5-oxo-6-[(thiophen-2-yl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzonitrile
IUPAC name
3-({5-oxo-6-[(thiophen-2-yl)methyl]-5H6H7H-pyrrolo[34-b]pyridin-7-yl}amino)benzonitrile
SMILES
N#Cc1cccc(NC(c2c3cccn2)N(Cc2cccs2)C3=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
346.41
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.334
Distribution Coefficient, logD
3.334
Water Solubility, LogSw
-3.79
Polar Surface Area
52.986
Acid Dissociation Constant (pKa)
16.22
Base Dissociation Constant (pKb)
-3.22
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
10.50
G804-0924 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
Anticancer Library (62698 compounds)
Antiparasite Library (23996 compounds)
NOTUM (Wnt signaling) Library (3881 compounds)
RAR (Nuclear receptors) Ligands Library (6524 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Cancer
- Infections
- Immune system
- animal
- Cancer
- Respiratory tract
- Eye
- Male
- Female
- Hemic and lymphatic
- Congenital
- Skin
- Endocrine
- Immune system
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Kinases
- Nuclear receptors
- Proteases
- Agro
- Receptor's ligands
References: we are preparing a list of scientific research reports with G804-0924 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)