K784-8687 Screening compound: 3-{[(4-chloroanilino)carbonyl]amino}-N~1~-(2-methoxybenzyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
Chemical Structure Depiction of ChemDiv screening compound K784-8687
3-{[(4-chloroanilino)carbonyl]amino}-N~1~-(2-methoxybenzyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
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
K784-8687
Molecular Formula
C33H32ClN5O4 (C33 H32 ClN5 O4)
Compound Name
3-{[(4-chloroanilino)carbonyl]amino}-N~1~-(2-methoxybenzyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
IUPAC name
3-{[(4-chlorophenyl)carbamoyl]amino}-N-[(2-methoxyphenyl)methyl]-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide
SMILES
COc1c(CNC(c(cc2)cc(NC(Nc(cc3)ccc3Cl)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)cccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
598.1
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
6.178
Distribution Coefficient, logD
6.177
Water Solubility, LogSw
-6.19
Polar Surface Area
82.738
Acid Dissociation Constant (pKa)
10.13
Base Dissociation Constant (pKb)
6.78
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
24.20
K784-8687 in Drug Discovery
Included in Screening Libraries
3CLpro Library (4801 compounds)
Anticancer Library (62698 compounds)
CORONAVIRUS Library (20774 compounds)
Lipid Metabolism Library (9174 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Antiviral
- Infections
- Immune system
- Cardiovascular
- Metabolic
- PPI modulators
- PPI modulators
- Cyclic compounds
- Cyclic compounds
References: we are preparing a list of scientific research reports with K784-8687 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)