Screening compound: IBCQJLAYKMTQOE-UHFFFAOYSA-N

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

Chemical Structure Depiction of ChemDiv screening compound
IBCQJLAYKMTQOE-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

T379-0003

Molecular Formula

C21H28N4O5S (C21 H28 N4 O5 S)

Compound Name

ethyl 2-[({4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-1,4-diazepan-1-yl}carbonyl)amino]acetate

IUPAC name

ethyl 2-({4-[4-methyl-5-(4-methylphenyl)-11-dioxo-1lambda62-thiazol-3-yl]-14-diazepane-1-carbonyl}amino)acetate

SMILES

CCOC(CNC(N(CCC1)CCN1C(C(C)=C1c2ccc(C)cc2)=NS1(=O)=O)=O)=O

InChI

InChI=1S/C21H28N4O5S/c1-4-30-18(26)14-22-21(27)25-11-5-10-24(12-13-25)20-16(3)19(31(28,29)23-20)17-8-6-15(2)7-9-17/h6-9H,4-5,10-14H2,1-3H3,(H,22,27)

InChI Key

IBCQJLAYKMTQOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618930

IBCQJLAYKMTQOE-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

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

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

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

Frequently Asked Questions

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