V020-3240 Screening compound: 2-[1-(2-methylphenyl)-4-(3-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
Chemical Structure Depiction of ChemDiv screening compound V020-3240
2-[1-(2-methylphenyl)-4-(3-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]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
V020-3240
Molecular Formula
C34H31N5O2S (C34 H31 N5 O2 S)
Compound Name
2-[1-(2-methylphenyl)-4-(3-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
IUPAC name
2-[1-(2-methylphenyl)-4-(3-methylphenyl)-7-oxo-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-[(pyridin-4-yl)methyl]acetamide
SMILES
Cc1cccc(C(c(c(-c2ccccc2)nn2-c3c(C)cccc3)c2N2CC(NCc3ccncc3)=O)SCC2=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
573.72
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
5.705
Distribution Coefficient, logD
5.702
Water Solubility, LogSw
-5.35
Polar Surface Area
63.624
Acid Dissociation Constant (pKa)
13.58
Base Dissociation Constant (pKb)
5.29
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
17.60
References: we are preparing a list of scientific research reports with V020-3240 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)