Screening compound: MLVVWKDBAWXFLG-UHFFFAOYSA-N

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

Chemical Structure Depiction of ChemDiv screening compound
MLVVWKDBAWXFLG-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

C530-1333

Molecular Formula

C27H26N2O4S (C27 H26 N2 O4 S)

Compound Name

10-(2,5-dimethylbenzyl)-8-(1-pyrrolidinylcarbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione

IUPAC name

9-[(25-dimethylphenyl)methyl]-6-(pyrrolidine-1-carbonyl)-2lambda6-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-2210-trione

SMILES

Cc1cc(CN(c(cc(cc2)C(N3CCCC3)=O)c2S(c2c3cccc2)(=O)=O)C3=O)c(C)cc1

InChI

InChI=1S/C27H26N2O4S/c1-18-9-10-19(2)21(15-18)17-29-23-16-20(26(30)28-13-5-6-14-28)11-12-25(23)34(32,33)24-8-4-3-7-22(24)27(29)31/h3-4,7-12,15-16H,5-6,13-14,17H2,1-2H3

InChI Key

MLVVWKDBAWXFLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14767950

MLVVWKDBAWXFLG-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Recognition Elements PPI Library (24135 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators

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

Frequently Asked Questions

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