0074-0012 Screening compound: 2-[4-(octylsulfanyl)phenyl]-5-(tridecyloxy)pyridine

0074-0012 Screening compound: 2-[4-(octylsulfanyl)phenyl]-5-(tridecyloxy)pyridine
0074-0012 Screening compound: 2-[4-(octylsulfanyl)phenyl]-5-(tridecyloxy)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0074-0012
2-[4-(octylsulfanyl)phenyl]-5-(tridecyloxy)pyridine

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

0074-0012

Molecular Formula

C32H51NOS (C32 H51 NOS)

Compound Name

2-[4-(octylsulfanyl)phenyl]-5-(tridecyloxy)pyridine

IUPAC name

2-[4-(octylsulfanyl)phenyl]-5-(tridecyloxy)pyridine

SMILES

CCCCCCCCCCCCCOc(cc1)cnc1-c(cc1)ccc1SCCCCCCCC

InChI

InChI=1S/C32H51NOS/c1-3-5-7-9-11-12-13-14-15-16-18-26-34-30-22-25-32(33-28-30)29-20-23-31(24-21-29)35-27-19-17-10-8-6-4-2/h20-25,28H,3-19,26-27H2,1-2H3

InChI Key

UHVZDFQFZXTHGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

22.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

13.446

Distribution Coefficient, logD

13.432

Water Solubility, LogSw

-5.89

Polar Surface Area

16.522

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.60

0074-0012 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 0074-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0074-0012?
Check Price and Availability of 0074-0012, 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 0074-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0074-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0074-0012
  • 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 0074-0012 available by request