D751-0143 Screening compound: 2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
Chemical Structure Depiction of ChemDiv screening compound D751-0143
2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N-[3-(3-methyl-1,2,4-oxadiazol-5-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
D751-0143
Molecular Formula
C27H28N6O3 (C27 H28 N6 O3)
Compound Name
2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
IUPAC name
N-[3-(3-methyl-124-oxadiazol-5-yl)propyl]-2-[(1R)-21-methyl-14-oxo-31321-triazapentacyclo[11.8.0.0^{210}.0^{49}.0^{1520}]henicosa-2(10)4(9)5715(20)1618-heptaen-3-yl]acetamide
SMILES
Cc1noc(CCCNC(Cn2c(cccc3)c3c(CC3)c2[C@H](N(C)c2c4cccc2)N3C4=O)=O)n1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
484.56
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
2.825
Distribution Coefficient, logD
2.825
Water Solubility, LogSw
-3.52
Polar Surface Area
74.046
Acid Dissociation Constant (pKa)
14.77
Base Dissociation Constant (pKb)
1.47
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
33.33
D751-0143 in Drug Discovery
Included in Screening Libraries
Natural-Product-Based Library (3730 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- Pool
- PPI modulators
References: we are preparing a list of scientific research reports with D751-0143 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)