4378-0256 Screening compound: 2-{[2-(4-tert-butylbenzenesulfonyl)ethyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile

4378-0256 Screening compound: 2-{[2-(4-tert-butylbenzenesulfonyl)ethyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
4378-0256 Screening compound: 2-{[2-(4-tert-butylbenzenesulfonyl)ethyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4378-0256
2-{[2-(4-tert-butylbenzenesulfonyl)ethyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile

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

4378-0256

Molecular Formula

C31H30N2O3S2 (C31 H30 N2 O3 S2)

Compound Name

2-{[2-(4-tert-butylbenzenesulfonyl)ethyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile

IUPAC name

2-{[2-(4-tert-butylbenzenesulfonyl)ethyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile

SMILES

CC(C)(C)c(cc1)ccc1S(CCSc1nc(-c(cc2)ccc2OC)cc(-c2ccccc2)c1C#N)(=O)=O

InChI

InChI=1S/C31H30N2O3S2/c1-31(2,3)24-12-16-26(17-13-24)38(34,35)19-18-37-30-28(21-32)27(22-8-6-5-7-9-22)20-29(33-30)23-10-14-25(36-4)15-11-23/h5-17,20H,18-19H2,1-4H3

InChI Key

NCTCPZWZLRJLJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02973047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.72

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.068

Distribution Coefficient, logD

8.068

Water Solubility, LogSw

-5.98

Polar Surface Area

61.807

Acid Dissociation Constant (pKa)

20.92

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.60

4378-0256 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4378-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4378-0256?
Check Price and Availability of 4378-0256, 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 4378-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4378-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4378-0256
  • 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 4378-0256 available by request