8018-8616 Screening compound: methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate

8018-8616 Screening compound: methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate
8018-8616 Screening compound: methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8616
methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate

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

8018-8616

Molecular Formula

C11H8N2O5 (C11 H8 N2 O5)

Compound Name

methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate

IUPAC name

methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate

SMILES

COC(C(c1c[nH]c(cc2)c1cc2[N+]([O-])=O)=O)=O

InChI

InChI=1S/C11H8N2O5/c1-18-11(15)10(14)8-5-12-9-3-2-6(13(16)17)4-7(8)9/h2-5,12H,1H3

InChI Key

SVYATAVBYMWSBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08273476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.2

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.934

Distribution Coefficient, logD

1.934

Water Solubility, LogSw

-2.77

Polar Surface Area

78.403

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8018-8616 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-8616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8616?
Check Price and Availability of 8018-8616, 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 8018-8616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8616
  • 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 8018-8616 available by request