4748-0786 Screening compound: 2-{2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamido}acetic acid

4748-0786 Screening compound: 2-{2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamido}acetic acid
4748-0786 Screening compound: 2-{2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamido}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4748-0786
2-{2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamido}acetic acid

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

4748-0786

Molecular Formula

C12H13N3O3S (C12 H13 N3 O3 S)

Compound Name

2-{2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamido}acetic acid

IUPAC name

2-{2-[(3-cyano-46-dimethylpyridin-2-yl)sulfanyl]acetamido}acetic acid

SMILES

Cc(cc(C)nc1SCC(NCC(O)=O)=O)c1C#N

InChI

InChI=1S/C12H13N3O3S/c1-7-3-8(2)15-12(9(7)4-13)19-6-10(16)14-5-11(17)18/h3H,5-6H2,1-2H3,(H,14,16)(H,17,18)

InChI Key

DCDBUEPZMQDOFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03286002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.245

Distribution Coefficient, logD

-3.641

Water Solubility, LogSw

-1.83

Polar Surface Area

78.704

Acid Dissociation Constant (pKa)

3.51

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4748-0786 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4748-0786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4748-0786?
Check Price and Availability of 4748-0786, 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 4748-0786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4748-0786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4748-0786
  • 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 4748-0786 available by request