K216-0092 Screening compound: ethyl 5-{[2-(4-methoxyphenyl)-8-nitro-10H-imidazo[1',2':2,3][1,2,4]triazino[5,6-b]indol-10-yl]methyl}-2-furoate

K216-0092 Screening compound: ethyl 5-{[2-(4-methoxyphenyl)-8-nitro-10H-imidazo[1',2':2,3][1,2,4]triazino[5,6-b]indol-10-yl]methyl}-2-furoate
K216-0092 Screening compound: ethyl 5-{[2-(4-methoxyphenyl)-8-nitro-10H-imidazo[1',2':2,3][1,2,4]triazino[5,6-b]indol-10-yl]methyl}-2-furoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K216-0092
ethyl 5-{[2-(4-methoxyphenyl)-8-nitro-10H-imidazo[1',2':2,3][1,2,4]triazino[5,6-b]indol-10-yl]methyl}-2-furoate

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

K216-0092

Molecular Formula

C26H20N6O6 (C26 H20 N6 O6)

Compound Name

ethyl 5-{[2-(4-methoxyphenyl)-8-nitro-10H-imidazo[1',2':2,3][1,2,4]triazino[5,6-b]indol-10-yl]methyl}-2-furoate

IUPAC name

ethyl 5-{[13-(4-methoxyphenyl)-5-nitro-810121516-pentaazatetracyclo[7.7.0.0^{27}.0^{1115}]hexadeca-1(16)2(7)3591113-heptaen-8-yl]methyl}furan-2-carboxylate

SMILES

CCOC(c1ccc(Cn2c3nc4nc(-c(cc5)ccc5OC)cn4nc3c(cc3)c2cc3[N+]([O-])=O)o1)=O

InChI

InChI=1S/C26H20N6O6/c1-3-37-25(33)22-11-9-18(38-22)13-30-21-12-16(32(34)35)6-10-19(21)23-24(30)28-26-27-20(14-31(26)29-23)15-4-7-17(36-2)8-5-15/h4-12,14H,3,13H2,1-2H3

InChI Key

CIOGMKDDPYSABJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.248

Distribution Coefficient, logD

5.248

Water Solubility, LogSw

-5.14

Polar Surface Area

101.546

Acid Dissociation Constant (pKa)

28.45

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

K216-0092 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with K216-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-0092?
Check Price and Availability of K216-0092, 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 K216-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K216-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K216-0092
  • 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 K216-0092 available by request