D576-0037 Screening compound: 2-chloro-N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-6-fluorobenzamide
Chemical Structure Depiction of ChemDiv screening compound D576-0037
2-chloro-N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-6-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
D576-0037
Molecular Formula
C20H19ClFN5O (C20 H19 ClFN5 O)
Compound Name
2-chloro-N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-6-fluorobenzamide
IUPAC name
2-chloro-N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-6-fluorobenzamide
SMILES
CCNc1nc(C)cc(Nc(cc2)ccc2NC(c(c(F)ccc2)c2Cl)=O)n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
399.86
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.678
Distribution Coefficient, logD
3.595
Water Solubility, LogSw
-5.06
Polar Surface Area
62.453
Acid Dissociation Constant (pKa)
9.44
Base Dissociation Constant (pKb)
8.45
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
15.00
D576-0037 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
- Cancer
- Nervous system
References: we are preparing a list of scientific research reports with D576-0037 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)