1595-0113 Screening compound: 5-{2-[(3,5-di-tert-butyl-4-fluorophenyl)sulfanyl]ethyl}-2-methylpyridine

1595-0113 Screening compound: 5-{2-[(3,5-di-tert-butyl-4-fluorophenyl)sulfanyl]ethyl}-2-methylpyridine
1595-0113 Screening compound: 5-{2-[(3,5-di-tert-butyl-4-fluorophenyl)sulfanyl]ethyl}-2-methylpyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1595-0113
5-{2-[(3,5-di-tert-butyl-4-fluorophenyl)sulfanyl]ethyl}-2-methylpyridine

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

1595-0113

Molecular Formula

C22H30FNS (C22 H30 FNS)

Compound Name

5-{2-[(3,5-di-tert-butyl-4-fluorophenyl)sulfanyl]ethyl}-2-methylpyridine

IUPAC name

5-{2-[(35-di-tert-butyl-4-fluorophenyl)sulfanyl]ethyl}-2-methylpyridine

SMILES

CC(C)(C)c1cc(SCCc2cnc(C)cc2)cc(C(C)(C)C)c1F

InChI

InChI=1S/C22H30FNS/c1-15-8-9-16(14-24-15)10-11-25-17-12-18(21(2,3)4)20(23)19(13-17)22(5,6)7/h8-9,12-14H,10-11H2,1-7H3

InChI Key

DIVSRTATCRWLQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00378544

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

359.55

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

6.527

Distribution Coefficient, logD

6.516

Water Solubility, LogSw

-5.92

Polar Surface Area

8.911

Acid Dissociation Constant (pKa)

23.11

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

1595-0113 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1595-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1595-0113?
Check Price and Availability of 1595-0113, 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 1595-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1595-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1595-0113
  • 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 1595-0113 available by request