E544-0027 Screening compound: N-(4-FLUOROPHENYL)-2-{[11-(HYDROXYMETHYL)-14-METHYL-5-PHENYL-2-OXA-4,6,13-TRIAZATRICYCLO[8.4.0.0^(3,8)]TETRADECA-1(10),3,5,7,11,13-HEXAEN-7-YL]SULFANYL}ACETAMIDE
Chemical Structure Depiction of ChemDiv screening compound E544-0027
N-(4-FLUOROPHENYL)-2-{[11-(HYDROXYMETHYL)-14-METHYL-5-PHENYL-2-OXA-4,6,13-TRIAZATRICYCLO[8.4.0.0^(3,8)]TETRADECA-1(10),3,5,7,11,13-HEXAEN-7-YL]SULFANYL}ACETAMIDE
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
E544-0027
Molecular Formula
C26H21FN4O3S (C26 H21 FN4 O3 S)
Compound Name
N-(4-FLUOROPHENYL)-2-{[11-(HYDROXYMETHYL)-14-METHYL-5-PHENYL-2-OXA-4,6,13-TRIAZATRICYCLO[8.4.0.0^(3,8)]TETRADECA-1(10),3,5,7,11,13-HEXAEN-7-YL]SULFANYL}ACETAMIDE
IUPAC name
N-(4-fluorophenyl)-2-{[11-(hydroxymethyl)-14-methyl-5-phenyl-2-oxa-4613-triazatricyclo[8.4.0.0^{38}]tetradeca-1(10)3(8)461113-hexaen-7-yl]sulfanyl}acetamide
SMILES
Cc1ncc(CO)c(C2)c1Oc1c2c(SCC(Nc(cc2)ccc2F)=O)nc(-c2ccccc2)n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
488.54
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.852
Distribution Coefficient, logD
4.849
Water Solubility, LogSw
-4.50
Polar Surface Area
75.794
Acid Dissociation Constant (pKa)
9.58
Base Dissociation Constant (pKb)
1.95
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
15.40
E544-0027 in Drug Discovery
Included in Screening Libraries
Angiogenesis library (14822 compounds)
Included in 1.7M Stock Database
- Cancer
References: we are preparing a list of scientific research reports with E544-0027 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)