3729-2895 Screening compound: 3-bromo-N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-4-ethoxybenzamide

3729-2895 Screening compound: 3-bromo-N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-4-ethoxybenzamide
3729-2895 Screening compound: 3-bromo-N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-2895
3-bromo-N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-4-ethoxybenzamide

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

3729-2895

Molecular Formula

C24H21BrN2O3 (C24 H21 BrN2 O3)

Compound Name

3-bromo-N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-4-ethoxybenzamide

IUPAC name

3-bromo-N-[2-(24-dimethylphenyl)-13-benzoxazol-5-yl]-4-ethoxybenzamide

SMILES

CCOc(ccc(C(Nc(cc1)cc2c1oc(-c1c(C)cc(C)cc1)n2)=O)c1)c1Br

InChI

InChI=1S/C24H21BrN2O3/c1-4-29-21-9-6-16(12-19(21)25)23(28)26-17-7-10-22-20(13-17)27-24(30-22)18-8-5-14(2)11-15(18)3/h5-13H,4H2,1-3H3,(H,26,28)

InChI Key

HILYDTDZBHAFHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01834136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.412

Distribution Coefficient, logD

6.407

Water Solubility, LogSw

-5.59

Polar Surface Area

47.350

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3729-2895 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3729-2895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-2895?
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What is the minimum amount of 3729-2895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-2895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-2895
  • 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 3729-2895 available by request