C226-1184 Screening compound: 6-[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

C226-1184 Screening compound: 6-[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
C226-1184 Screening compound: 6-[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-1184
6-[5-(2H-1,3-benzodioxol-5-yl)-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

C226-1184

Molecular Formula

C21H24N2O4 (C21 H24 N2 O4)

Compound Name

6-[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

IUPAC name

6-[5-(2H-13-benzodioxol-5-yl)-12-oxazole-3-carbonyl]-133-trimethyl-6-azabicyclo[3.2.1]octane

SMILES

CC(C1)(C2)CC(C)(C)CC1N2C(c1noc(-c(cc2)cc3c2OCO3)c1)=O

InChI

InChI=1S/C21H24N2O4/c1-20(2)8-14-9-21(3,10-20)11-23(14)19(24)15-7-17(27-22-15)13-4-5-16-18(6-13)26-12-25-16/h4-7,14H,8-12H2,1-3H3

InChI Key

MBEBGJJODCPCRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05027216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.096

Distribution Coefficient, logD

4.096

Water Solubility, LogSw

-4.40

Polar Surface Area

55.223

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.40

C226-1184 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Regenerative Medicine Focused Library (23016 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 C226-1184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-1184?
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What is the minimum amount of C226-1184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-1184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-1184
  • 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 C226-1184 available by request