3454-1815 Screening compound: 1-[7-methyl-6-(prop-2-en-1-yloxy)-6H-[1,2,5]oxadiazolo[3,4-e]indol-8-yl]ethan-1-one

3454-1815 Screening compound: 1-[7-methyl-6-(prop-2-en-1-yloxy)-6H-[1,2,5]oxadiazolo[3,4-e]indol-8-yl]ethan-1-one
3454-1815 Screening compound: 1-[7-methyl-6-(prop-2-en-1-yloxy)-6H-[1,2,5]oxadiazolo[3,4-e]indol-8-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3454-1815
1-[7-methyl-6-(prop-2-en-1-yloxy)-6H-[1,2,5]oxadiazolo[3,4-e]indol-8-yl]ethan-1-one

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

3454-1815

Molecular Formula

C14H13N3O3 (C14 H13 N3 O3)

Compound Name

1-[7-methyl-6-(prop-2-en-1-yloxy)-6H-[1,2,5]oxadiazolo[3,4-e]indol-8-yl]ethan-1-one

IUPAC name

1-[7-methyl-6-(prop-2-en-1-yloxy)-6H-[125]oxadiazolo[34-e]indol-8-yl]ethan-1-one

SMILES

CC(c(c1c2ccc3nonc13)c(C)n2OCC=C)=O

InChI

InChI=1S/C14H13N3O3/c1-4-7-19-17-8(2)12(9(3)18)13-11(17)6-5-10-14(13)16-20-15-10/h4-6H,1,7H2,2-3H3

InChI Key

YJGQXMNSRUEXJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02031383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.970

Distribution Coefficient, logD

2.970

Water Solubility, LogSw

-3.27

Polar Surface Area

62.652

Acid Dissociation Constant (pKa)

20.44

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

3454-1815 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3454-1815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3454-1815?
Check Price and Availability of 3454-1815, 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 3454-1815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3454-1815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3454-1815
  • 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 3454-1815 available by request