Screening compound: XJSDIYGWAFKVCU-UHFFFAOYSA-N

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

Chemical Structure Depiction of ChemDiv screening compound
XJSDIYGWAFKVCU-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

8009-0064

Molecular Formula

C21H21N3O2S (C21 H21 N3 O2 S)

Compound Name

3-[(4Z)-4-(phenylimino)-2-sulfanylidene-1,3-diazaspiro[4.5]decan-1-yl]benzoic acid

IUPAC name

3-[(4Z)-4-(phenylimino)-2-sulfanylidene-13-diazaspiro[4.5]decan-1-yl]benzoic acid

SMILES

OC(c1cccc(N(C2(CCCCC2)/C(/N2)=N/c3ccccc3)C2=S)c1)=O

InChI

InChI=1S/C21H21N3O2S/c25-18(26)15-8-7-11-17(14-15)24-20(27)23-19(21(24)12-5-2-6-13-21)22-16-9-3-1-4-10-16/h1,3-4,7-11,14H,2,5-6,12-13H2,(H,25,26)(H,22,23,27)

InChI Key

XJSDIYGWAFKVCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460719

XJSDIYGWAFKVCU-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

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

Frequently Asked Questions

How to purchase chemical compound XJSDIYGWAFKVCU-UHFFFAOYSA-N?
Check Price and Availability of XJSDIYGWAFKVCU-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 XJSDIYGWAFKVCU-UHFFFAOYSA-N you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for XJSDIYGWAFKVCU-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 XJSDIYGWAFKVCU-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 XJSDIYGWAFKVCU-UHFFFAOYSA-N available by request