G531-0075 Screening compound: methyl 2-({[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)propanoate
Chemical Structure Depiction of ChemDiv screening compound G531-0075
methyl 2-({[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)propanoate
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
G531-0075
Molecular Formula
C13H22N4O3 (C13 H22 N4 O3)
Compound Name
methyl 2-({[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)propanoate
IUPAC name
methyl 2-({[2-(135-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)propanoate
SMILES
CC(C(OC)=O)NC(NCCc1c(C)n(C)nc1C)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
282.34
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
-0.150
Distribution Coefficient, logD
-0.150
Water Solubility, LogSw
-0.73
Polar Surface Area
70.475
Acid Dissociation Constant (pKa)
14.61
Base Dissociation Constant (pKb)
4.35
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
61.50
G531-0075 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Antiviral Library (67538 compounds)
Included in 1.7M Stock Database
- 3D
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with G531-0075 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)