D751-0234 Screening compound: N-[4-(aminosulfonyl)benzyl]-3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]propanamide
Chemical Structure Depiction of ChemDiv screening compound D751-0234
N-[4-(aminosulfonyl)benzyl]-3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]propanamide
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
D751-0234
Molecular Formula
C29H29N5O4S (C29 H29 N5 O4 S)
Compound Name
N-[4-(aminosulfonyl)benzyl]-3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]propanamide
IUPAC name
3-[(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]-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILES
CN([C@@H]1N2CCc3c1n(CCC(NCc(cc1)ccc1S(N)(=O)=O)=O)c1c3cccc1)c(cccc1)c1C2=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
543.65
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
2.613
Distribution Coefficient, logD
2.613
Water Solubility, LogSw
-3.38
Polar Surface Area
93.559
Acid Dissociation Constant (pKa)
10.18
Base Dissociation Constant (pKb)
-2.13
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
24.14
D751-0234 in Drug Discovery
Included in Screening Libraries
Anti-infective Library (19449 compounds)
CORONAVIRUS Library (20774 compounds)
Natural-Product-Based Library (3730 compounds)
PLpro Library (6343 compounds)
Protein-Protein Interaction Library (218420 compounds)
Carbonic Anhydrase II Library (4939 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Pool
- PPI modulators
References: we are preparing a list of scientific research reports with D751-0234 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)