G856-1097 Screening compound: N-(2,5-dimethylphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of ChemDiv screening compound G856-1097
N-(2,5-dimethylphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
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
G856-1097
Molecular Formula
C28H26N4O3S (C28 H26 N4 O3 S)
Compound Name
N-(2,5-dimethylphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
IUPAC name
N-(25-dimethylphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3H4H5H-pyrimido[54-b]indol-2-yl]sulfanyl}acetamide
SMILES
CCOc(cc1)ccc1N(C1=O)C(SCC(Nc2c(C)ccc(C)c2)=O)=Nc2c1[nH]c1c2cccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
498.61
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.458
Distribution Coefficient, logD
4.458
Water Solubility, LogSw
-4.27
Polar Surface Area
62.693
Acid Dissociation Constant (pKa)
13.06
Base Dissociation Constant (pKb)
0.59
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
17.90
G856-1097 in Drug Discovery
Included in Screening Libraries
Cysteine Proteases Inhibitors Library (7839 compounds)
Included in 1.7M Stock Database
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Nervous system
- Cardiovascular
- Skin
- Metabolic
- Endocrine
- Immune system
- Proteases
References: we are preparing a list of scientific research reports with G856-1097 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)