8018-6093 Screening compound: 3,4,5-trimethoxy-N-[2-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]benzamide

8018-6093 Screening compound: 3,4,5-trimethoxy-N-[2-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]benzamide
8018-6093 Screening compound: 3,4,5-trimethoxy-N-[2-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6093
3,4,5-trimethoxy-N-[2-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]benzamide

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

8018-6093

Molecular Formula

C22H21F3N4O6 (C22 H21 F3 N4 O6)

Compound Name

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

IUPAC name

345-trimethoxy-N-[2-({3-[4-(trifluoromethyl)phenyl]-124-oxadiazol-5-yl}formamido)ethyl]benzamide

SMILES

COc1cc(C(NCCNC(c2nc(-c3ccc(C(F)(F)F)cc3)no2)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C22H21F3N4O6/c1-32-15-10-13(11-16(33-2)17(15)34-3)19(30)26-8-9-27-20(31)21-28-18(29-35-21)12-4-6-14(7-5-12)22(23,24)25/h4-7,10-11H,8-9H2,1-3H3,(H,26,30)(H,27,31)

InChI Key

FGBJBTWOZUSTOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.808

Distribution Coefficient, logD

2.808

Water Solubility, LogSw

-3.48

Polar Surface Area

103.675

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

8018-6093 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • 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 8018-6093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6093?
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What is the minimum amount of 8018-6093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6093
  • 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 8018-6093 available by request