5756-2706 Screening compound: 3-{[3-CYANO-6-(4-PROPOXYPHENYL)-4-(TRIFLUOROMETHYL)PYRIDIN-2-YL]SULFANYL}PROPANOIC ACID

5756-2706 Screening compound: 3-{[3-CYANO-6-(4-PROPOXYPHENYL)-4-(TRIFLUOROMETHYL)PYRIDIN-2-YL]SULFANYL}PROPANOIC ACID
5756-2706 Screening compound: 3-{[3-CYANO-6-(4-PROPOXYPHENYL)-4-(TRIFLUOROMETHYL)PYRIDIN-2-YL]SULFANYL}PROPANOIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound 5756-2706
3-{[3-CYANO-6-(4-PROPOXYPHENYL)-4-(TRIFLUOROMETHYL)PYRIDIN-2-YL]SULFANYL}PROPANOIC 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

5756-2706

Molecular Formula

C19H17F3N2O3S (C19 H17 F3 N2 O3 S)

Compound Name

3-{[3-CYANO-6-(4-PROPOXYPHENYL)-4-(TRIFLUOROMETHYL)PYRIDIN-2-YL]SULFANYL}PROPANOIC ACID

IUPAC name

n/a

SMILES

CCCOc(cc1)ccc1-c(nc1SCCC(O)=O)cc(C(F)(F)F)c1C#N

InChI

InChI=1S/C19H17F3N2O3S/c1-2-8-27-13-5-3-12(4-6-13)16-10-15(19(20,21)22)14(11-23)18(24-16)28-9-7-17(25)26/h3-6,10H,2,7-9H2,1H3,(H,25,26)

InChI Key

BIEKTMXRMNPWKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04445891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.114

Distribution Coefficient, logD

2.431

Water Solubility, LogSw

-4.99

Polar Surface Area

61.572

Acid Dissociation Constant (pKa)

4.72

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

5756-2706 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5756-2706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5756-2706?
Check Price and Availability of 5756-2706, 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 5756-2706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5756-2706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5756-2706
  • 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 5756-2706 available by request