8018-6097 Screening compound: 2-(4-fluorophenoxy)-N-[2-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]acetamide

8018-6097 Screening compound: 2-(4-fluorophenoxy)-N-[2-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]acetamide
8018-6097 Screening compound: 2-(4-fluorophenoxy)-N-[2-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6097
2-(4-fluorophenoxy)-N-[2-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]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

8018-6097

Molecular Formula

C20H16F4N4O4 (C20 H16 F4 N4 O4)

Compound Name

2-(4-fluorophenoxy)-N-[2-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]acetamide

IUPAC name

2-(4-fluorophenoxy)-N-[2-({3-[4-(trifluoromethyl)phenyl]-124-oxadiazol-5-yl}formamido)ethyl]acetamide

SMILES

O=C(COc(cc1)ccc1F)NCCNC(c1nc(-c2ccc(C(F)(F)F)cc2)no1)=O

InChI

InChI=1S/C20H16F4N4O4/c21-14-5-7-15(8-6-14)31-11-16(29)25-9-10-26-18(30)19-27-17(28-32-19)12-1-3-13(4-2-12)20(22,23)24/h1-8H,9-11H2,(H,25,29)(H,26,30)

InChI Key

YTKPNOFVQXEPRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.789

Distribution Coefficient, logD

2.789

Water Solubility, LogSw

-3.32

Polar Surface Area

87.983

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8018-6097 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-6097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6097?
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What is the minimum amount of 8018-6097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6097
  • 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 8018-6097 available by request