C226-1070 Screening compound: 6-[5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

C226-1070 Screening compound: 6-[5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
C226-1070 Screening compound: 6-[5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-1070
6-[5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

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

C226-1070

Molecular Formula

C22H28N2O4 (C22 H28 N2 O4)

Compound Name

6-[5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

IUPAC name

6-[5-(34-dimethoxyphenyl)-12-oxazole-3-carbonyl]-133-trimethyl-6-azabicyclo[3.2.1]octane

SMILES

CC(C1)(C2)CC(C)(C)CC1N2C(c1noc(-c(cc2)cc(OC)c2OC)c1)=O

InChI

InChI=1S/C22H28N2O4/c1-21(2)10-15-11-22(3,12-21)13-24(15)20(25)16-9-18(28-23-16)14-6-7-17(26-4)19(8-14)27-5/h6-9,15H,10-13H2,1-5H3

InChI Key

QHIPQNVMPVSFGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.798

Distribution Coefficient, logD

3.798

Water Solubility, LogSw

-4.14

Polar Surface Area

53.369

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.50

C226-1070 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C226-1070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-1070?
Check Price and Availability of C226-1070, 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 C226-1070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-1070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-1070
  • 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 C226-1070 available by request