Screening compound: XNGJUBXGETWNRF-KRWDZBQOSA-N

Screening compound: XNGJUBXGETWNRF-KRWDZBQOSA-N
Screening compound: XNGJUBXGETWNRF-KRWDZBQOSA-N alternative view

Chemical Structure Depiction of ChemDiv screening compound
XNGJUBXGETWNRF-KRWDZBQOSA-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

S978-0332

Molecular Formula

C22H29N3O2S (C22 H29 N3 O2 S)

Compound Name

1-{3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}-2-(thiophen-3-yl)ethan-1-one

IUPAC name

1-[(3S)-3-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2345-tetrahydro-14-benzoxazepin-4-yl]-2-(thiophen-3-yl)ethan-1-one

SMILES

C[C@@H](COc1c(C2)cc(CN3CCN(C)CC3)cc1)N2C(Cc1cscc1)=O

InChI

InChI=1S/C22H29N3O2S/c1-17-15-27-21-4-3-18(13-24-8-6-23(2)7-9-24)11-20(21)14-25(17)22(26)12-19-5-10-28-16-19/h3-5,10-11,16-17H,6-9,12-15H2,1-2H3/t17-/m0/s1

InChI Key

XNGJUBXGETWNRF-KRWDZBQOSA-N

MDL Number (MFCD)

XNGJUBXGETWNRF-KRWDZBQOSA-N in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

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

Frequently Asked Questions

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