Screening compound: XRNWTXZFSAUNDG-UHFFFAOYSA-N

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

Chemical Structure Depiction of ChemDiv screening compound
XRNWTXZFSAUNDG-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

K788-8616

Molecular Formula

C31H32ClN3O4S (C31 H32 ClN3 O4 S)

Compound Name

10-(3-chlorobenzyl)-8-[(4-cyclohexylpiperazino)carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione

IUPAC name

9-[(3-chlorophenyl)methyl]-6-(4-cyclohexylpiperazine-1-carbonyl)-2lambda6-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-2210-trione

SMILES

O=C(c(cc1)cc(N(Cc2cccc(Cl)c2)C(c2c3cccc2)=O)c1S3(=O)=O)N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C31H32ClN3O4S/c32-24-8-6-7-22(19-24)21-35-27-20-23(30(36)34-17-15-33(16-18-34)25-9-2-1-3-10-25)13-14-29(27)40(38,39)28-12-5-4-11-26(28)31(35)37/h4-8,11-14,19-20,25H,1-3,9-10,15-18,21H2

InChI Key

XRNWTXZFSAUNDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107933

XRNWTXZFSAUNDG-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

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

Frequently Asked Questions

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