Screening compound: KSEPDMOHHIJPNW-VZUABVSXSA-N

Screening compound: KSEPDMOHHIJPNW-VZUABVSXSA-N
Screening compound: KSEPDMOHHIJPNW-VZUABVSXSA-N alternative view

Chemical Structure Depiction of ChemDiv screening compound
KSEPDMOHHIJPNW-VZUABVSXSA-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

C073-3718

Molecular Formula

C33H35ClFN3O6 (C33 H35 ClFN3 O6)

Compound Name

(1S,2R,5S,7R)-N~6~-(3-chloro-4-fluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N~2~-(2,3-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

IUPAC name

(5S7R)-N6-(3-chloro-4-fluorophenyl)-3-[(23-dihydro-14-benzodioxin-2-yl)methyl]-N2-(23-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CC(CCC1)C(C)C1NC(C([C@]1([C@H]2C3C(Nc(cc4)cc(Cl)c4F)=O)O[C@H]3C=C1)N(CC1Oc(cccc3)c3OC1)C2=O)=O

InChI

InChI=1S/C33H35ClFN3O6/c1-17-6-5-7-23(18(17)2)37-31(40)29-33-13-12-26(44-33)27(30(39)36-19-10-11-22(35)21(34)14-19)28(33)32(41)38(29)15-20-16-42-24-8-3-4-9-25(24)43-20/h3-4,8-14,17-18,20,23,26-29H,5-7,15-16H2,1-2H3,(H,36,39)(H,37,40)/t17?,18?,20?,23?,26-,27?,28-,29?,33-/m0/s1

InChI Key

KSEPDMOHHIJPNW-VZUABVSXSA-N

MDL Number (MFCD)

KSEPDMOHHIJPNW-VZUABVSXSA-N in Drug Discovery

Included in Screening Libraries

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

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

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

Frequently Asked Questions

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