C226-1159 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]azepane

C226-1159 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]azepane
C226-1159 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-1159
1-[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]azepane

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

C226-1159

Molecular Formula

C17H18N2O4 (C17 H18 N2 O4)

Compound Name

1-[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]azepane

IUPAC name

1-[5-(2H-13-benzodioxol-5-yl)-12-oxazole-3-carbonyl]azepane

SMILES

O=C(c1noc(-c(cc2)cc3c2OCO3)c1)N1CCCCCC1

InChI

InChI=1S/C17H18N2O4/c20-17(19-7-3-1-2-4-8-19)13-10-15(23-18-13)12-5-6-14-16(9-12)22-11-21-14/h5-6,9-10H,1-4,7-8,11H2

InChI Key

FDXZFRJCQJHPMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.34

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

3.418

Distribution Coefficient, logD

3.418

Water Solubility, LogSw

-3.53

Polar Surface Area

55.868

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with C226-1159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-1159?
Check Price and Availability of C226-1159, 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 C226-1159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-1159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-1159
  • 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 C226-1159 available by request