8001-7940 Screening compound: 2-{[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl}acetic acid

8001-7940 Screening compound: 2-{[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl}acetic acid
8001-7940 Screening compound: 2-{[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-7940
2-{[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl}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

8001-7940

Molecular Formula

C21H16N2O3S (C21 H16 N2 O3 S)

Compound Name

2-{[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl}acetic acid

IUPAC name

2-{[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}acetic acid

SMILES

COc(cc1)ccc1-c(cc(-c1ccccc1)nc1SCC(O)=O)c1C#N

InChI

InChI=1S/C21H16N2O3S/c1-26-16-9-7-14(8-10-16)17-11-19(15-5-3-2-4-6-15)23-21(18(17)12-22)27-13-20(24)25/h2-11H,13H2,1H3,(H,24,25)

InChI Key

LBQWBYYTMGYKKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00486895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.673

Distribution Coefficient, logD

1.208

Water Solubility, LogSw

-4.58

Polar Surface Area

61.426

Acid Dissociation Constant (pKa)

3.94

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

References: we are preparing a list of scientific research reports with 8001-7940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-7940?
Check Price and Availability of 8001-7940, 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 8001-7940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-7940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-7940
  • 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 8001-7940 available by request