Screening compound: PBXUZQLZGBJTIX-UHFFFAOYSA-N

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

Chemical Structure Depiction of ChemDiv screening compound
PBXUZQLZGBJTIX-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

5542-0051

Molecular Formula

C27H21ClF3N3O4S2 (C27 H21 ClF3 N3 O4 S2)

Compound Name

2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide

IUPAC name

2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1456-tetrahydropyridin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide

SMILES

COc1cccc(NC(CSC(NC(C(C2c(cccc3)c3Cl)C(c3cccs3)=O)(C(F)(F)F)O)=C2C#N)=O)c1

InChI

InChI=1S/C27H21ClF3N3O4S2/c1-38-16-7-4-6-15(12-16)33-21(35)14-40-25-18(13-32)22(17-8-2-3-9-19(17)28)23(24(36)20-10-5-11-39-20)26(37,34-25)27(29,30)31/h2-12,22-23,34,37H,14H2,1H3,(H,33,35)

InChI Key

PBXUZQLZGBJTIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827576

PBXUZQLZGBJTIX-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 PBXUZQLZGBJTIX-UHFFFAOYSA-N chemical compound. It will be published here after verification.

Frequently Asked Questions

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