8012-2155 Screening compound: ethyl 16-oxo-2-oxa-15-azatetracyclo[7.5.3.0~1,10~.0~3,8~]heptadeca-3,5,7-triene-17-carboxylate

8012-2155 Screening compound: ethyl 16-oxo-2-oxa-15-azatetracyclo[7.5.3.0~1,10~.0~3,8~]heptadeca-3,5,7-triene-17-carboxylate
8012-2155 Screening compound: ethyl 16-oxo-2-oxa-15-azatetracyclo[7.5.3.0~1,10~.0~3,8~]heptadeca-3,5,7-triene-17-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2155
ethyl 16-oxo-2-oxa-15-azatetracyclo[7.5.3.0~1,10~.0~3,8~]heptadeca-3,5,7-triene-17-carboxylate

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

8012-2155

Molecular Formula

C18H21NO4 (C18 H21 NO4)

Compound Name

ethyl 16-oxo-2-oxa-15-azatetracyclo[7.5.3.0~1,10~.0~3,8~]heptadeca-3,5,7-triene-17-carboxylate

IUPAC name

ethyl 16-oxo-2-oxa-15-azatetracyclo[7.5.3.0^{110}.0^{38}]heptadeca-357-triene-17-carboxylate

SMILES

CCOC(C(C(C1CCCC2)c(cccc3)c3OC12N1)C1=O)=O

InChI

InChI=1S/C18H21NO4/c1-2-22-17(21)15-14-11-7-3-4-9-13(11)23-18(19-16(15)20)10-6-5-8-12(14)18/h3-4,7,9,12,14-15H,2,5-6,8,10H2,1H3,(H,19,20)

InChI Key

YSDMTIZGQWZMNO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.774

Distribution Coefficient, logD

2.774

Water Solubility, LogSw

-3.34

Polar Surface Area

54.114

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

55.56

References: we are preparing a list of scientific research reports with 8012-2155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2155?
Check Price and Availability of 8012-2155, 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 8012-2155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2155
  • 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 8012-2155 available by request