Screening compound: C27H30N4O3S (M459-3805)

Screening compound: C<sub>27</sub>H<sub>30</sub>N<sub>4</sub>O<sub>3</sub>S (M459-3805)
Screening compound: C<sub>27</sub>H<sub>30</sub>N<sub>4</sub>O<sub>3</sub>S (M459-3805) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C27H30N4O3S (M459-3805)

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

M459-3805

Molecular Formula

C27H30N4O3S (C27 H30 N4 O3 S)

Compound Name

ethyl 4-(2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSc1nc(N2CCC(Cc3ccccc3)CC2)ccn1)=O)=O

InChI

InChI=1S/C27H30N4O3S/c1-2-34-26(33)22-8-10-23(11-9-22)29-25(32)19-35-27-28-15-12-24(30-27)31-16-13-21(14-17-31)18-20-6-4-3-5-7-20/h3-12,15,21H,2,13-14,16-19H2,1H3,(H,29,32)

InChI Key

VSKPYQHQMLBXHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542620

C27H30N4O3S (M459-3805) in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C27H30N4O3S (M459-3805) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C27H30N4O3S (M459-3805)?
Check Price and Availability of C27H30N4O3S (M459-3805), 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 C27H30N4O3S (M459-3805) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C27H30N4O3S (M459-3805)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C27H30N4O3S (M459-3805)
  • 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 C27H30N4O3S (M459-3805) available by request