4357-2108 Screening compound: (1Z)-N1-[(2E)-3-phenylprop-2-en-1-ylidene]-1H-1,2,3,4-tetrazole-1,5-diamine
Chemical Structure Depiction of ChemDiv screening compound 4357-2108
(1Z)-N1-[(2E)-3-phenylprop-2-en-1-ylidene]-1H-1,2,3,4-tetrazole-1,5-diamine
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
4357-2108
Molecular Formula
C10H10N6 (C10 H10 N6)
Compound Name
(1Z)-N1-[(2E)-3-phenylprop-2-en-1-ylidene]-1H-1,2,3,4-tetrazole-1,5-diamine
IUPAC name
(1Z)-N1-[(2E)-3-phenylprop-2-en-1-ylidene]-1H-1234-tetrazole-15-diamine
SMILES
Nc1nnnn1/N=C\C=C\c1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
214.23
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
0.913
Distribution Coefficient, logD
0.913
Water Solubility, LogSw
-0.73
Polar Surface Area
70.430
Acid Dissociation Constant (pKa)
17.66
Base Dissociation Constant (pKb)
1.49
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
4357-2108 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 4357-2108 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)