8007-4270 Screening compound: 2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-{6-[2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]pyridin-2-yl}acetamide

8007-4270 Screening compound: 2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-{6-[2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]pyridin-2-yl}acetamide
8007-4270 Screening compound: 2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-{6-[2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]pyridin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4270
2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-{6-[2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]pyridin-2-yl}acetamide

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

8007-4270

Molecular Formula

C31H27N11O2S2 (C31 H27 N11 O2 S2)

Compound Name

2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-{6-[2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]pyridin-2-yl}acetamide

IUPAC name

2-({5-ethyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)-N-{6-[2-({5-ethyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)acetamido]pyridin-2-yl}acetamide

SMILES

CCn1c2nc(SCC(Nc3cccc(NC(CSc4nnc(c(cccc5)c5n5CC)c5n4)=O)n3)=O)nnc2c2c1cccc2

InChI

InChI=1S/C31H27N11O2S2/c1-3-41-20-12-7-5-10-18(20)26-28(41)35-30(39-37-26)45-16-24(43)33-22-14-9-15-23(32-22)34-25(44)17-46-31-36-29-27(38-40-31)19-11-6-8-13-21(19)42(29)4-2/h5-15H,3-4,16-17H2,1-2H3,(H2,32,33,34,43,44)

InChI Key

CFLLDTFXTWRHJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

649.76

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

5.191

Distribution Coefficient, logD

5.191

Water Solubility, LogSw

-5.23

Polar Surface Area

121.216

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.40

8007-4270 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8007-4270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4270?
Check Price and Availability of 8007-4270, 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 8007-4270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4270
  • 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 8007-4270 available by request