Screening compound: XGTMFXMPIXBYRE-UHFFFAOYSA-N

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

Chemical Structure Depiction of ChemDiv screening compound
XGTMFXMPIXBYRE-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

K788-8635

Molecular Formula

C28H26ClN3O6S (C28 H26 ClN3 O6 S)

Compound Name

ethyl 4-{[10-(3-chlorobenzyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepin-8-yl]carbonyl}tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-{9-[(3-chlorophenyl)methyl]-2210-trioxo-2lambda6-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carbonyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c(cc1)cc(N(Cc2cccc(Cl)c2)C(c2c3cccc2)=O)c1S3(=O)=O)=O)=O

InChI

InChI=1S/C28H26ClN3O6S/c1-2-38-28(35)31-14-12-30(13-15-31)26(33)20-10-11-25-23(17-20)32(18-19-6-5-7-21(29)16-19)27(34)22-8-3-4-9-24(22)39(25,36)37/h3-11,16-17H,2,12-15,18H2,1H3

InChI Key

XGTMFXMPIXBYRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107952

XGTMFXMPIXBYRE-UHFFFAOYSA-N 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)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR

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

Frequently Asked Questions

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