C226-0497 Screening compound: 5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

C226-0497 Screening compound: 5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
C226-0497 Screening compound: 5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-0497
5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

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

C226-0497

Molecular Formula

C20H19BrN2O4 (C20 H19 BrN2 O4)

Compound Name

5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(4-bromophenyl)-N-[2-(34-dimethoxyphenyl)ethyl]-12-oxazole-3-carboxamide

SMILES

COc(ccc(CCNC(c1noc(-c(cc2)ccc2Br)c1)=O)c1)c1OC

InChI

InChI=1S/C20H19BrN2O4/c1-25-17-8-3-13(11-19(17)26-2)9-10-22-20(24)16-12-18(27-23-16)14-4-6-15(21)7-5-14/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)

InChI Key

NKFPRHIPVLLHAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09781801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.860

Distribution Coefficient, logD

3.860

Water Solubility, LogSw

-4.13

Polar Surface Area

61.289

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C226-0497 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C226-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-0497?
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What is the minimum amount of C226-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-0497
  • 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 C226-0497 available by request