Screening compound: KBKXDJONNSMBAI-UHFFFAOYSA-N

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

Chemical Structure Depiction of ChemDiv screening compound
KBKXDJONNSMBAI-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

K784-8697

Molecular Formula

C33H32ClN5O3 (C33 H32 ClN5 O3)

Compound Name

3-{[(4-chloroanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-phenethylbenzamide

IUPAC name

3-{[(4-chlorophenyl)carbamoyl]amino}-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-N-(2-phenylethyl)benzamide

SMILES

O=C(c(cc1)cc(NC(Nc(cc2)ccc2Cl)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)NCCc1ccccc1

InChI

InChI=1S/C33H32ClN5O3/c34-26-10-12-27(13-11-26)36-33(42)37-28-18-24(32(41)35-16-15-22-5-2-1-3-6-22)9-14-30(28)38-19-23-17-25(21-38)29-7-4-8-31(40)39(29)20-23/h1-14,18,23,25H,15-17,19-21H2,(H,35,41)(H2,36,37,42)

InChI Key

KBKXDJONNSMBAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099238

KBKXDJONNSMBAI-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

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

Frequently Asked Questions

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