6687-0898 Screening compound: 1-(4-chloro-2-methylphenoxy)-3-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylpentan-2-one

6687-0898 Screening compound: 1-(4-chloro-2-methylphenoxy)-3-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylpentan-2-one
6687-0898 Screening compound: 1-(4-chloro-2-methylphenoxy)-3-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylpentan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6687-0898
1-(4-chloro-2-methylphenoxy)-3-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylpentan-2-one

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

6687-0898

Molecular Formula

C22H22Cl2N2O3 (C22 H22 Cl2 N2 O3)

Compound Name

1-(4-chloro-2-methylphenoxy)-3-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylpentan-2-one

IUPAC name

1-(4-chloro-2-methylphenoxy)-3-{[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}-4-methylpentan-2-one

SMILES

CC(C)C(Cc1nc(-c(cc2)ccc2Cl)no1)C(COc(cc1)c(C)cc1Cl)=O

InChI

InChI=1S/C22H22Cl2N2O3/c1-13(2)18(19(27)12-28-20-9-8-17(24)10-14(20)3)11-21-25-22(26-29-21)15-4-6-16(23)7-5-15/h4-10,13,18H,11-12H2,1-3H3/t18-/m0/s1

InChI Key

GRRSDGZDLSHUJI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14711808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.354

Distribution Coefficient, logD

7.354

Water Solubility, LogSw

-6.41

Polar Surface Area

52.143

Acid Dissociation Constant (pKa)

20.49

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

6687-0898 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6687-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6687-0898?
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What is the minimum amount of 6687-0898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6687-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6687-0898
  • 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 6687-0898 available by request