Y500-0300 Screening compound: 2-amino-5-cyano-6-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-3-pyridyl cyanide

Y500-0300 Screening compound: 2-amino-5-cyano-6-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-3-pyridyl cyanide
Y500-0300 Screening compound: 2-amino-5-cyano-6-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-3-pyridyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-0300
2-amino-5-cyano-6-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-3-pyridyl cyanide

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

Y500-0300

Molecular Formula

C14H12N6OS (C14 H12 N6 OS)

Compound Name

2-amino-5-cyano-6-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-3-pyridyl cyanide

IUPAC name

2-amino-6-{[2-(35-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}pyridine-35-dicarbonitrile

SMILES

Cc1cc(C)nn1C(CSc(c(C#N)c1)nc(N)c1C#N)=O

InChI

InChI=1S/C14H12N6OS/c1-8-3-9(2)20(19-8)12(21)7-22-14-11(6-16)4-10(5-15)13(17)18-14/h3-4H,7H2,1-2H3,(H2,17,18)

InChI Key

FHDQMKKXHZPVLV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.566

Distribution Coefficient, logD

0.566

Water Solubility, LogSw

-1.80

Polar Surface Area

90.335

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

References: we are preparing a list of scientific research reports with Y500-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-0300?
Check Price and Availability of Y500-0300, 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 Y500-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-0300
  • 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 Y500-0300 available by request