C226-0496 Screening compound: 2-[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

C226-0496 Screening compound: 2-[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline
C226-0496 Screening compound: 2-[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-0496
2-[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

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

C226-0496

Molecular Formula

C19H15BrN2O2 (C19 H15 BrN2 O2)

Compound Name

2-[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[5-(4-bromophenyl)-12-oxazole-3-carbonyl]-1234-tetrahydroisoquinoline

SMILES

O=C(c1noc(-c(cc2)ccc2Br)c1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C19H15BrN2O2/c20-16-7-5-14(6-8-16)18-11-17(21-24-18)19(23)22-10-9-13-3-1-2-4-15(13)12-22/h1-8,11H,9-10,12H2

InChI Key

ZGGFBQDLEDBTDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09781800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.798

Distribution Coefficient, logD

4.798

Water Solubility, LogSw

-4.91

Polar Surface Area

38.084

Acid Dissociation Constant (pKa)

25.61

Base Dissociation Constant (pKb)

-6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C226-0496 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C226-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-0496?
Check Price and Availability of C226-0496, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C226-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-0496
  • 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 C226-0496 available by request