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)

Check Price and Availability

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

InChI=1S/C26H21FN4O3S/c1-15-23-20(17(13-32)12-28-15)11-21-25(34-23)30-24(16-5-3-2-4-6-16)31-26(21)35-14-22(33)29-19-9-7-18(27)8-10-19/h2-10,12,32H,11,13-14H2,1H3,(H,29,33)

InChI Key

WIHANYZLKVFTFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897801

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

Partition Coefficient, logP

4.852

Distribution Coefficient, logD

4.849

Water Solubility, LogSw

-4.50

Polar Surface Area

75.794

Acid Dissociation Constant (pK_a)

9.58

Base Dissociation Constant (pK_b)

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?
Check Price and Availability of E544-0027, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.

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