K781-1315 Screening compound: methyl 3-amino-1-(4-chloro-3-nitrobenzoyl)-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of ChemDiv screening compound K781-1315
methyl 3-amino-1-(4-chloro-3-nitrobenzoyl)-1H-pyrazole-4-carboxylate
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
K781-1315
Molecular Formula
C12H9ClN4O5 (C12 H9 ClN4 O5)
Compound Name
methyl 3-amino-1-(4-chloro-3-nitrobenzoyl)-1H-pyrazole-4-carboxylate
IUPAC name
methyl 3-amino-1-(4-chloro-3-nitrobenzoyl)-1H-pyrazole-4-carboxylate
SMILES
COC(c1cn(C(c(cc2)cc([N+]([O-])=O)c2Cl)=O)nc1N)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
324.68
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
1.012
Distribution Coefficient, logD
1.012
Water Solubility, LogSw
-2.83
Polar Surface Area
102.519
Acid Dissociation Constant (pKa)
15.27
Base Dissociation Constant (pKb)
-0.75
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
8.30
K781-1315 in Drug Discovery
Included in Screening Libraries
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Agro
References: we are preparing a list of scientific research reports with K781-1315 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)