Screening compound: KJGGDIJRRFTNDW-UHFFFAOYSA-N

Screening compound: KJGGDIJRRFTNDW-UHFFFAOYSA-N
Screening compound: KJGGDIJRRFTNDW-UHFFFAOYSA-N alternative view

Chemical Structure Depiction of ChemDiv screening compound
KJGGDIJRRFTNDW-UHFFFAOYSA-N

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

C879-2021

Molecular Formula

C22H28ClFN2O2 (C22 H28 ClFN2 O2)

Compound Name

1-[(2-chloro-6-fluorophenyl)methyl]-4-[(cycloheptylamino)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

IUPAC name

1-[(2-chloro-6-fluorophenyl)methyl]-4-[(cycloheptylamino)methyl]-25-dimethyl-1H-pyrrole-3-carboxylic acid

SMILES

Cc1c(CNC2CCCCCC2)c(C(O)=O)c(C)n1Cc(c(F)ccc1)c1Cl

InChI

InChI=1S/C22H28ClFN2O2/c1-14-17(12-25-16-8-5-3-4-6-9-16)21(22(27)28)15(2)26(14)13-18-19(23)10-7-11-20(18)24/h7,10-11,16,25H,3-6,8-9,12-13H2,1-2H3,(H,27,28)

InChI Key

KJGGDIJRRFTNDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803555

KJGGDIJRRFTNDW-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

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

Frequently Asked Questions

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