8005-6696 Screening compound: 1-methyl-3-[(1E)-2-nitroethenyl]-1H-indole

8005-6696 Screening compound: 1-methyl-3-[(1E)-2-nitroethenyl]-1H-indole
8005-6696 Screening compound: 1-methyl-3-[(1E)-2-nitroethenyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-6696
1-methyl-3-[(1E)-2-nitroethenyl]-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

8005-6696

Molecular Formula

C11H10N2O2 (C11 H10 N2 O2)

Compound Name

1-methyl-3-[(1E)-2-nitroethenyl]-1H-indole

IUPAC name

1-methyl-3-[(1E)-2-nitroethenyl]-1H-indole

SMILES

Cn1c(cccc2)c2c(/C=C/[N+]([O-])=O)c1

InChI

InChI=1S/C11H10N2O2/c1-12-8-9(6-7-13(14)15)10-4-2-3-5-11(10)12/h2-8H,1H3

InChI Key

RZJUMQWTXIXIMY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

202.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.188

Distribution Coefficient, logD

2.188

Water Solubility, LogSw

-2.28

Polar Surface Area

40.057

Acid Dissociation Constant (pKa)

31.15

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8005-6696 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-6696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-6696?
Check Price and Availability of 8005-6696, 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 8005-6696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-6696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-6696
  • 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 8005-6696 available by request