2239-0684 Screening compound: 4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide

2239-0684 Screening compound: 4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
2239-0684 Screening compound: 4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2239-0684
4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide

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

2239-0684

Molecular Formula

C27H28N2O2 (C27 H28 N2 O2)

Compound Name

4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide

IUPAC name

4-tert-butyl-N-[5-(5-ethyl-13-benzoxazol-2-yl)-2-methylphenyl]benzamide

SMILES

CCc(cc1)cc2c1oc(-c1cc(NC(c3ccc(C(C)(C)C)cc3)=O)c(C)cc1)n2

InChI

InChI=1S/C27H28N2O2/c1-6-18-8-14-24-23(15-18)29-26(31-24)20-9-7-17(2)22(16-20)28-25(30)19-10-12-21(13-11-19)27(3,4)5/h7-16H,6H2,1-5H3,(H,28,30)

InChI Key

DDFGQKRSEZXOEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01840081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.198

Distribution Coefficient, logD

7.198

Water Solubility, LogSw

-5.56

Polar Surface Area

39.442

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

2239-0684 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 2239-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2239-0684?
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What is the minimum amount of 2239-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2239-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2239-0684
  • 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 2239-0684 available by request