8137-0175 Screening compound: N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]-4-fluorobenzamide
Chemical Structure Depiction of ChemDiv screening compound 8137-0175
N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]-4-fluorobenzamide
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
8137-0175
Molecular Formula
C24H23FN6O (C24 H23 FN6 O)
Compound Name
N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]-4-fluorobenzamide
IUPAC name
N-[(E)-[(46-dimethylpyrimidin-2-yl)amino]({[2-(1H-indol-3-yl)ethyl]amino})methylidene]-4-fluorobenzamide
SMILES
Cc1nc(N/C(/NCCc2c[nH]c3c2cccc3)=N/C(c(cc2)ccc2F)=O)nc(C)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
430.48
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.588
Distribution Coefficient, logD
1.514
Water Solubility, LogSw
-3.85
Polar Surface Area
70.882
Acid Dissociation Constant (pKa)
10.48
Base Dissociation Constant (pKb)
9.47
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
16.70
References: we are preparing a list of scientific research reports with 8137-0175 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)