3764-6528 Screening compound: 5-(4-{[2-(4-butylphenyl)quinazolin-4-yl]amino}phenoxy)-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione
Chemical Structure Depiction of ChemDiv screening compound 3764-6528
5-(4-{[2-(4-butylphenyl)quinazolin-4-yl]amino}phenoxy)-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-1,3-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
3764-6528
Molecular Formula
C39H29F3N4O3 (C39 H29 F3 N4 O3)
Compound Name
5-(4-{[2-(4-butylphenyl)quinazolin-4-yl]amino}phenoxy)-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC name
5-(4-{[2-(4-butylphenyl)quinazolin-4-yl]amino}phenoxy)-2-[2-(trifluoromethyl)phenyl]-23-dihydro-1H-isoindole-13-dione
SMILES
CCCCc(cc1)ccc1-c1nc2ccccc2c(Nc(cc2)ccc2Oc(cc2)cc(C(N3c4c(C(F)(F)F)cccc4)=O)c2C3=O)n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
658.68
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
11.235
Distribution Coefficient, logD
10.978
Water Solubility, LogSw
-5.90
Polar Surface Area
62.893
Acid Dissociation Constant (pKa)
19.14
Base Dissociation Constant (pKb)
7.31
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
12.80
3764-6528 in Drug Discovery
Included in Screening Libraries
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with 3764-6528 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)