Y500-7770 Screening compound: methyl 3-{[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-2-thiophenecarboxylate
Chemical Structure Depiction of ChemDiv screening compound Y500-7770
methyl 3-{[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-2-thiophenecarboxylate
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
Y500-7770
Molecular Formula
C11H10BrN3O3S (C11 H10 BrN3 O3 S)
Compound Name
methyl 3-{[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-2-thiophenecarboxylate
IUPAC name
methyl 3-(4-bromo-1-methyl-1H-pyrazole-5-amido)thiophene-2-carboxylate
SMILES
Cn1ncc(Br)c1C(Nc1c(C(OC)=O)scc1)=O
InChI
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
344.19
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.819
Distribution Coefficient, logD
0.367
Water Solubility, LogSw
-2.33
Polar Surface Area
58.340
Acid Dissociation Constant (pKa)
5.96
Base Dissociation Constant (pKb)
-2.77
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
18.18
Y500-7770 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with Y500-7770 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)