1315-0442 Screening compound: N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide

1315-0442 Screening compound: N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide
1315-0442 Screening compound: N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1315-0442
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide

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

1315-0442

Molecular Formula

C23H20N2O2 (C23 H20 N2 O2)

Compound Name

N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide

IUPAC name

N-[2-(4-ethylphenyl)-13-benzoxazol-5-yl]-3-methylbenzamide

SMILES

CCc(cc1)ccc1-c1nc(cc(cc2)NC(c3cc(C)ccc3)=O)c2o1

InChI

InChI=1S/C23H20N2O2/c1-3-16-7-9-17(10-8-16)23-25-20-14-19(11-12-21(20)27-23)24-22(26)18-6-4-5-15(2)13-18/h4-14H,3H2,1-2H3,(H,24,26)

InChI Key

SKNSQSCVCQWNBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00647898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.848

Distribution Coefficient, logD

5.844

Water Solubility, LogSw

-5.42

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

1315-0442 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 1315-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1315-0442?
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What is the minimum amount of 1315-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1315-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1315-0442
  • 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 1315-0442 available by request