K262-0002 Screening compound: methyl 2-(4,6-diamino-3,5-dicyano-2-sulfanylidene-1,2-dihydropyridin-1-yl)benzoate

K262-0002 Screening compound: methyl 2-(4,6-diamino-3,5-dicyano-2-sulfanylidene-1,2-dihydropyridin-1-yl)benzoate
K262-0002 Screening compound: methyl 2-(4,6-diamino-3,5-dicyano-2-sulfanylidene-1,2-dihydropyridin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K262-0002
methyl 2-(4,6-diamino-3,5-dicyano-2-sulfanylidene-1,2-dihydropyridin-1-yl)benzoate

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

K262-0002

Molecular Formula

C15H11N5O2S (C15 H11 N5 O2 S)

Compound Name

methyl 2-(4,6-diamino-3,5-dicyano-2-sulfanylidene-1,2-dihydropyridin-1-yl)benzoate

IUPAC name

methyl 2-(46-diamino-35-dicyano-2-sulfanylidene-12-dihydropyridin-1-yl)benzoate

SMILES

COC(c(cccc1)c1N(C(C(C#N)=C1N)=S)C(N)=C1C#N)=O

InChI

InChI=1S/C15H11N5O2S/c1-22-15(21)8-4-2-3-5-11(8)20-13(19)9(6-16)12(18)10(7-17)14(20)23/h2-5H,18-19H2,1H3

InChI Key

DEZUMELTUHHYOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.937

Distribution Coefficient, logD

0.937

Water Solubility, LogSw

-2.18

Polar Surface Area

98.663

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

K262-0002 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 K262-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K262-0002?
Check Price and Availability of K262-0002, 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 K262-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K262-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K262-0002
  • 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 K262-0002 available by request