0892-0713 Screening compound: 2-amino-4-(4-butoxyphenyl)-6-{[(4-chlorophenyl)methyl]sulfanyl}pyridine-3,5-dicarbonitrile

0892-0713 Screening compound: 2-amino-4-(4-butoxyphenyl)-6-{[(4-chlorophenyl)methyl]sulfanyl}pyridine-3,5-dicarbonitrile
0892-0713 Screening compound: 2-amino-4-(4-butoxyphenyl)-6-{[(4-chlorophenyl)methyl]sulfanyl}pyridine-3,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0892-0713
2-amino-4-(4-butoxyphenyl)-6-{[(4-chlorophenyl)methyl]sulfanyl}pyridine-3,5-dicarbonitrile

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

0892-0713

Molecular Formula

C24H21ClN4OS (C24 H21 ClN4 OS)

Compound Name

2-amino-4-(4-butoxyphenyl)-6-{[(4-chlorophenyl)methyl]sulfanyl}pyridine-3,5-dicarbonitrile

IUPAC name

2-amino-4-(4-butoxyphenyl)-6-{[(4-chlorophenyl)methyl]sulfanyl}pyridine-35-dicarbonitrile

SMILES

CCCCOc(cc1)ccc1-c(c(C#N)c(N)nc1SCc(cc2)ccc2Cl)c1C#N

InChI

InChI=1S/C24H21ClN4OS/c1-2-3-12-30-19-10-6-17(7-11-19)22-20(13-26)23(28)29-24(21(22)14-27)31-15-16-4-8-18(25)9-5-16/h4-11H,2-3,12,15H2,1H3,(H2,28,29)

InChI Key

MGZHKQRTYQEZAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00325830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.124

Distribution Coefficient, logD

6.124

Water Solubility, LogSw

-6.32

Polar Surface Area

70.669

Acid Dissociation Constant (pKa)

16.70

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

0892-0713 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0892-0713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0892-0713?
Check Price and Availability of 0892-0713, 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 0892-0713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0892-0713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0892-0713
  • 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 0892-0713 available by request