F019-5647 Screening compound: 2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide

F019-5647 Screening compound: 2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide
F019-5647 Screening compound: 2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F019-5647
2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)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

F019-5647

Molecular Formula

C24H24N4O3S (C24 H24 N4 O3 S)

Compound Name

2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide

IUPAC name

2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide

SMILES

CC(c1ccccc1)NC(CSc1nnc(-c2cc(cccc3OC)c3o2)n1CC=C)=O

InChI

InChI=1S/C24H24N4O3S/c1-4-13-28-23(20-14-18-11-8-12-19(30-3)22(18)31-20)26-27-24(28)32-15-21(29)25-16(2)17-9-6-5-7-10-17/h4-12,14,16H,1,13,15H2,2-3H3,(H,25,29)/t16-/m0/s1

InChI Key

FPNGFMNKPJHQKS-INIZCTEOSA-N

MDL Number (MFCD)

MFCD08670032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.55

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

4.200

Distribution Coefficient, logD

4.200

Water Solubility, LogSw

-4.28

Polar Surface Area

64.010

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

F019-5647 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

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F019-5647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F019-5647?
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What is the minimum amount of F019-5647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F019-5647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F019-5647
  • 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 F019-5647 available by request