C880-0757 Screening compound: 2-{5-benzyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
Chemical Structure Depiction of ChemDiv screening compound C880-0757
2-{5-benzyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(2-ethylpiperidin-1-yl)propyl]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
C880-0757
Molecular Formula
C29H35N5O2 (C29 H35 N5 O2)
Compound Name
2-{5-benzyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
IUPAC name
2-{5-benzyl-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
SMILES
CCC1N(CCCNC(CN(C2=O)N=Cc3c2n(Cc2ccccc2)c2c3cccc2)=O)CCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
485.63
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.708
Distribution Coefficient, logD
0.783
Water Solubility, LogSw
-3.83
Polar Surface Area
57.179
Acid Dissociation Constant (pKa)
16.11
Base Dissociation Constant (pKb)
10.32
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
41.40
C880-0757 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
References: we are preparing a list of scientific research reports with C880-0757 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)