Screening compound: PLLJULOUTHWWIH-UHFFFAOYSA-N

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

Chemical Structure Depiction of ChemDiv screening compound
PLLJULOUTHWWIH-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

V012-8377

Molecular Formula

C31H36N4O6S (C31 H36 N4 O6 S)

Compound Name

2-[4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(4-methoxyphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-[4-(2H-13-benzodioxol-5-yl)-3-tert-butyl-1-(4-methoxyphenyl)-7-oxo-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide

SMILES

CC(C)(C)c(c(C(c(cc1)cc2c1OCO2)SC1)c2N(CC(NCC3OCCC3)=O)C1=O)nn2-c(cc1)ccc1OC

InChI

InChI=1S/C31H36N4O6S/c1-31(2,3)29-27-28(19-7-12-23-24(14-19)41-18-40-23)42-17-26(37)34(16-25(36)32-15-22-6-5-13-39-22)30(27)35(33-29)20-8-10-21(38-4)11-9-20/h7-12,14,22,28H,5-6,13,15-18H2,1-4H3,(H,32,36)

InChI Key

PLLJULOUTHWWIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19795053

PLLJULOUTHWWIH-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

Frequently Asked Questions

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