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

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
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 alternative view

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

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

Therapeutical areas:
  • 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

How to purchase chemical compound E544-0027?
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What is the minimum amount of E544-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E544-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E544-0027
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E544-0027 available by request