8008-4205 Screening compound: 4,6-bis(4-methoxyphenyl)-2-{[2-(naphthalen-2-yl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile

8008-4205 Screening compound: 4,6-bis(4-methoxyphenyl)-2-{[2-(naphthalen-2-yl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
8008-4205 Screening compound: 4,6-bis(4-methoxyphenyl)-2-{[2-(naphthalen-2-yl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4205
4,6-bis(4-methoxyphenyl)-2-{[2-(naphthalen-2-yl)-2-oxoethyl]sulfanyl}pyridine-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

8008-4205

Molecular Formula

C32H24N2O3S (C32 H24 N2 O3 S)

Compound Name

4,6-bis(4-methoxyphenyl)-2-{[2-(naphthalen-2-yl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile

IUPAC name

46-bis(4-methoxyphenyl)-2-{[2-(naphthalen-2-yl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile

SMILES

COc(cc1)ccc1-c(cc(-c(cc1)ccc1OC)nc1SCC(c2cc3ccccc3cc2)=O)c1C#N

InChI

InChI=1S/C32H24N2O3S/c1-36-26-13-9-22(10-14-26)28-18-30(23-11-15-27(37-2)16-12-23)34-32(29(28)19-33)38-20-31(35)25-8-7-21-5-3-4-6-24(21)17-25/h3-18H,20H2,1-2H3

InChI Key

NQNSFISZWFQJNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01130580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.276

Distribution Coefficient, logD

8.276

Water Solubility, LogSw

-6.55

Polar Surface Area

53.290

Acid Dissociation Constant (pKa)

18.22

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.40

8008-4205 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-4205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4205?
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What is the minimum amount of 8008-4205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4205
  • 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 8008-4205 available by request