8241-0089 Screening compound: 1-methyl-3-[(1E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-1H-indole

8241-0089 Screening compound: 1-methyl-3-[(1E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-1H-indole
8241-0089 Screening compound: 1-methyl-3-[(1E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8241-0089
1-methyl-3-[(1E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-1H-indole

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

8241-0089

Molecular Formula

C15H13N3O3 (C15 H13 N3 O3)

Compound Name

1-methyl-3-[(1E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-1H-indole

IUPAC name

1-methyl-3-[(1E)-2-(3-methyl-4-nitro-12-oxazol-5-yl)ethenyl]-1H-indole

SMILES

Cc1noc(/C=C/c2cn(C)c3c2cccc3)c1[N+]([O-])=O

InChI

InChI=1S/C15H13N3O3/c1-10-15(18(19)20)14(21-16-10)8-7-11-9-17(2)13-6-4-3-5-12(11)13/h3-9H,1-2H3

InChI Key

HEFDAHIIIZVIHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03698223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.29

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

3.190

Distribution Coefficient, logD

3.190

Water Solubility, LogSw

-3.19

Polar Surface Area

57.093

Acid Dissociation Constant (pKa)

31.15

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8241-0089 in Drug Discovery

Included in Screening Libraries

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

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8241-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8241-0089?
Check Price and Availability of 8241-0089, 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 8241-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8241-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8241-0089
  • 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 8241-0089 available by request