F256-2945 Screening compound: 3-(2-{5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}ethyl)-1-(3-fluoro-4-methylphenyl)-3-methylurea

F256-2945 Screening compound: 3-(2-{5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}ethyl)-1-(3-fluoro-4-methylphenyl)-3-methylurea
F256-2945 Screening compound: 3-(2-{5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}ethyl)-1-(3-fluoro-4-methylphenyl)-3-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound F256-2945
3-(2-{5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}ethyl)-1-(3-fluoro-4-methylphenyl)-3-methylurea

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

F256-2945

Molecular Formula

C22H25FN4O3 (C22 H25 FN4 O3)

Compound Name

3-(2-{5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}ethyl)-1-(3-fluoro-4-methylphenyl)-3-methylurea

IUPAC name

3-(2-{5-[(24-dimethylphenoxy)methyl]-124-oxadiazol-3-yl}ethyl)-1-(3-fluoro-4-methylphenyl)-3-methylurea

SMILES

Cc(cc1)cc(C)c1OCc1nc(CCN(C)C(Nc2cc(F)c(C)cc2)=O)no1

InChI

InChI=1S/C22H25FN4O3/c1-14-5-8-19(16(3)11-14)29-13-21-25-20(26-30-21)9-10-27(4)22(28)24-17-7-6-15(2)18(23)12-17/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,28)

InChI Key

DOXVUZUHICMRBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27110222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.999

Distribution Coefficient, logD

4.999

Water Solubility, LogSw

-4.66

Polar Surface Area

65.107

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

F256-2945 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F256-2945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F256-2945?
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What is the minimum amount of F256-2945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F256-2945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F256-2945
  • 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 F256-2945 available by request