G317-0222 Screening compound: 3-ethoxy-4-[(3-methylphenyl)amino]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of ChemDiv screening compound G317-0222
3-ethoxy-4-[(3-methylphenyl)amino]cyclobut-3-ene-1,2-dione
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
G317-0222
Molecular Formula
C13H13NO3 (C13 H13 NO3)
Compound Name
3-ethoxy-4-[(3-methylphenyl)amino]cyclobut-3-ene-1,2-dione
IUPAC name
3-ethoxy-4-[(3-methylphenyl)amino]cyclobut-3-ene-12-dione
SMILES
CCOC(C(C1=O)=O)=C1Nc1cc(C)ccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
231.25
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.422
Distribution Coefficient, logD
2.421
Water Solubility, LogSw
-2.83
Polar Surface Area
43.607
Acid Dissociation Constant (pKa)
9.97
Base Dissociation Constant (pKb)
-0.93
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
23.10
G317-0222 in Drug Discovery
Included in Screening Libraries
Cardiovascular Library (22201 compounds)
Included in 1.7M Stock Database
- Cardiovascular
References: we are preparing a list of scientific research reports with G317-0222 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)