8017-8335 Screening compound: N-[(2-chloro-6-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

8017-8335 Screening compound: N-[(2-chloro-6-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
8017-8335 Screening compound: N-[(2-chloro-6-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8335
N-[(2-chloro-6-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

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

8017-8335

Molecular Formula

C17H12ClFN2O2 (C17 H12 ClFN2 O2)

Compound Name

N-[(2-chloro-6-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

IUPAC name

N-[(2-chloro-6-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

SMILES

O=C(C(NCc(c(F)ccc1)c1Cl)=O)c1c[nH]c2c1cccc2

InChI

InChI=1S/C17H12ClFN2O2/c18-13-5-3-6-14(19)12(13)9-21-17(23)16(22)11-8-20-15-7-2-1-4-10(11)15/h1-8,20H,9H2,(H,21,23)

InChI Key

RLUOLFXYWDRQCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.775

Distribution Coefficient, logD

3.775

Water Solubility, LogSw

-4.33

Polar Surface Area

48.261

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

8017-8335 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8017-8335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8335?
Check Price and Availability of 8017-8335, 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 8017-8335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8335
  • 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 8017-8335 available by request