Screening compound: C29H31N3O4S2 (C561-0410)

Screening compound: C<sub>29</sub>H<sub>31</sub>N<sub>3</sub>O<sub>4</sub>S<sub>2</sub> (C561-0410)
Screening compound: C<sub>29</sub>H<sub>31</sub>N<sub>3</sub>O<sub>4</sub>S<sub>2</sub> (C561-0410) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C29H31N3O4S2 (C561-0410)

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

C561-0410

Molecular Formula

C29H31N3O4S2 (C29 H31 N3 O4 S2)

Compound Name

3-(benzylsulfanyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-[4-(piperidine-1-sulfonyl)phenyl]propanamide

IUPAC name

(2R)-3-(benzylsulfanyl)-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)-N-[4-(piperidine-1-sulfonyl)phenyl]propanamide

SMILES

O=C(C(CSCc1ccccc1)N(Cc1c2cccc1)C2=O)Nc(cc1)ccc1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C29H31N3O4S2/c33-28(30-24-13-15-25(16-14-24)38(35,36)31-17-7-2-8-18-31)27(21-37-20-22-9-3-1-4-10-22)32-19-23-11-5-6-12-26(23)29(32)34/h1,3-6,9-16,27H,2,7-8,17-21H2,(H,30,33)/t27-/m0/s1

InChI Key

FCLKTZPAXJACTK-MHZLTWQESA-N

MDL Number (MFCD)

C29H31N3O4S2 (C561-0410) in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C29H31N3O4S2 (C561-0410) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C29H31N3O4S2 (C561-0410)?
Check Price and Availability of C29H31N3O4S2 (C561-0410), 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 C29H31N3O4S2 (C561-0410) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C29H31N3O4S2 (C561-0410)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C29H31N3O4S2 (C561-0410)
  • 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 C29H31N3O4S2 (C561-0410) available by request