C226-2890 Screening compound: 2-[5-(propan-2-yl)-1,2-oxazole-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

C226-2890 Screening compound: 2-[5-(propan-2-yl)-1,2-oxazole-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline
C226-2890 Screening compound: 2-[5-(propan-2-yl)-1,2-oxazole-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-2890
2-[5-(propan-2-yl)-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

C226-2890

Molecular Formula

C16H18N2O2 (C16 H18 N2 O2)

Compound Name

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

IUPAC name

2-[5-(propan-2-yl)-12-oxazole-3-carbonyl]-1234-tetrahydroisoquinoline

SMILES

CC(C)c1cc(C(N(CC2)Cc3c2cccc3)=O)no1

InChI

InChI=1S/C16H18N2O2/c1-11(2)15-9-14(17-20-15)16(19)18-8-7-12-5-3-4-6-13(12)10-18/h3-6,9,11H,7-8,10H2,1-2H3

InChI Key

WDYCJNWKNIXYNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.33

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

3.381

Distribution Coefficient, logD

3.381

Water Solubility, LogSw

-3.52

Polar Surface Area

38.355

Acid Dissociation Constant (pKa)

24.20

Base Dissociation Constant (pKb)

-4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C226-2890 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C226-2890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-2890?
Check Price and Availability of C226-2890, 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 C226-2890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-2890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-2890
  • 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 C226-2890 available by request