4534-1182 Screening compound: (Z)-[amino(pyridin-2-yl)methylidene]amino 3-methoxybenzoate
Chemical Structure Depiction of ChemDiv screening compound 4534-1182
(Z)-[amino(pyridin-2-yl)methylidene]amino 3-methoxybenzoate
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
4534-1182
Molecular Formula
C14H13N3O3 (C14 H13 N3 O3)
Compound Name
(Z)-[amino(pyridin-2-yl)methylidene]amino 3-methoxybenzoate
IUPAC name
(Z)-[amino(pyridin-2-yl)methylidene]amino 3-methoxybenzoate
SMILES
COc1cccc(C(O/N=C(/c2ncccc2)\N)=O)c1
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
271.28
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.489
Distribution Coefficient, logD
1.489
Water Solubility, LogSw
-1.73
Polar Surface Area
68.701
Acid Dissociation Constant (pKa)
13.28
Base Dissociation Constant (pKb)
2.62
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
7.10
4534-1182 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
Human Receptors Annotated Library (5376 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 4534-1182 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)