4244-1427 Screening compound: 2-(2-methylphenoxy)-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}acetamide

4244-1427 Screening compound: 2-(2-methylphenoxy)-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}acetamide
4244-1427 Screening compound: 2-(2-methylphenoxy)-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4244-1427
2-(2-methylphenoxy)-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}acetamide

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

4244-1427

Molecular Formula

C25H24N2O3 (C25 H24 N2 O3)

Compound Name

2-(2-methylphenoxy)-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}acetamide

IUPAC name

2-(2-methylphenoxy)-N-{4-[5-(propan-2-yl)-13-benzoxazol-2-yl]phenyl}acetamide

SMILES

CC(C)c(cc1)cc2c1oc(-c(cc1)ccc1NC(COc1c(C)cccc1)=O)n2

InChI

InChI=1S/C25H24N2O3/c1-16(2)19-10-13-23-21(14-19)27-25(30-23)18-8-11-20(12-9-18)26-24(28)15-29-22-7-5-4-6-17(22)3/h4-14,16H,15H2,1-3H3,(H,26,28)

InChI Key

KVHBDHMWECZWOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.128

Distribution Coefficient, logD

6.128

Water Solubility, LogSw

-5.54

Polar Surface Area

47.512

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4244-1427 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 4244-1427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4244-1427?
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What is the minimum amount of 4244-1427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4244-1427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4244-1427
  • 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 4244-1427 available by request