2680-0159 Screening compound: (Z)-N'-hydroxy-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}ethanimidamide

2680-0159 Screening compound: (Z)-N'-hydroxy-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}ethanimidamide
2680-0159 Screening compound: (Z)-N'-hydroxy-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}ethanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2680-0159
(Z)-N'-hydroxy-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}ethanimidamide

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

2680-0159

Molecular Formula

C11H10N6OS (C11 H10 N6 OS)

Compound Name

(Z)-N'-hydroxy-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}ethanimidamide

IUPAC name

(Z)-N'-hydroxy-2-{5H-[124]triazino[56-b]indol-3-ylsulfanyl}ethanimidamide

SMILES

N/C(/CSc1nnc(c(cccc2)c2[nH]2)c2n1)=N\O

InChI

InChI=1S/C11H10N6OS/c12-8(17-18)5-19-11-14-10-9(15-16-11)6-3-1-2-4-7(6)13-10/h1-4,18H,5H2,(H2,12,17)(H,13,14,16)

InChI Key

DWYYKBVCKHQPMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02043860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.513

Distribution Coefficient, logD

0.507

Water Solubility, LogSw

-1.80

Polar Surface Area

91.462

Acid Dissociation Constant (pKa)

12.11

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

2680-0159 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2680-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2680-0159?
Check Price and Availability of 2680-0159, 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 2680-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2680-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2680-0159
  • 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 2680-0159 available by request