F545-1985 Screening compound: 3-{5-[(3,5-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-N-(propan-2-yl)benzamide

F545-1985 Screening compound: 3-{5-[(3,5-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-N-(propan-2-yl)benzamide
F545-1985 Screening compound: 3-{5-[(3,5-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F545-1985
3-{5-[(3,5-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-N-(propan-2-yl)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

F545-1985

Molecular Formula

C21H23N3O4 (C21 H23 N3 O4)

Compound Name

3-{5-[(3,5-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-N-(propan-2-yl)benzamide

IUPAC name

3-{5-[(35-dimethoxyphenyl)methyl]-124-oxadiazol-3-yl}-N-(propan-2-yl)benzamide

SMILES

CC(C)NC(c1cc(-c2noc(Cc3cc(OC)cc(OC)c3)n2)ccc1)=O

InChI

InChI=1S/C21H23N3O4/c1-13(2)22-21(25)16-7-5-6-15(11-16)20-23-19(28-24-20)10-14-8-17(26-3)12-18(9-14)27-4/h5-9,11-13H,10H2,1-4H3,(H,22,25)

InChI Key

SQYRORURTHAYGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27175502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.999

Distribution Coefficient, logD

3.999

Water Solubility, LogSw

-4.32

Polar Surface Area

70.057

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F545-1985 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F545-1985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F545-1985?
Check Price and Availability of F545-1985, 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 F545-1985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F545-1985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F545-1985
  • 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 F545-1985 available by request