F538-0414 Screening compound: 1-(3-{5-[(4-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-3-(propan-2-yl)urea

F538-0414 Screening compound: 1-(3-{5-[(4-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-3-(propan-2-yl)urea
F538-0414 Screening compound: 1-(3-{5-[(4-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F538-0414
1-(3-{5-[(4-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-3-(propan-2-yl)urea

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

F538-0414

Molecular Formula

C20H21ClN4O3 (C20 H21 ClN4 O3)

Compound Name

1-(3-{5-[(4-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-3-(propan-2-yl)urea

IUPAC name

1-(3-{5-[(4-chloro-2-methylphenoxy)methyl]-124-oxadiazol-3-yl}phenyl)-3-(propan-2-yl)urea

SMILES

CC(C)NC(Nc1cccc(-c2noc(COc(cc3)c(C)cc3Cl)n2)c1)=O

InChI

InChI=1S/C20H21ClN4O3/c1-12(2)22-20(26)23-16-6-4-5-14(10-16)19-24-18(28-25-19)11-27-17-8-7-15(21)9-13(17)3/h4-10,12H,11H2,1-3H3,(H2,22,23,26)

InChI Key

SQECRIHZERFTOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27173885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.808

Distribution Coefficient, logD

5.808

Water Solubility, LogSw

-6.02

Polar Surface Area

71.767

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F538-0414 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F538-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F538-0414?
Check Price and Availability of F538-0414, 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 F538-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F538-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F538-0414
  • 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 F538-0414 available by request