4088-0111 Screening compound: 2-amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)pyridine-3,5-dicarbonitrile

4088-0111 Screening compound: 2-amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)pyridine-3,5-dicarbonitrile
4088-0111 Screening compound: 2-amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)pyridine-3,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4088-0111
2-amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)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

4088-0111

Molecular Formula

C23H18N4O4S (C23 H18 N4 O4 S)

Compound Name

2-amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)pyridine-3,5-dicarbonitrile

IUPAC name

2-amino-6-{[2-(34-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)pyridine-35-dicarbonitrile

SMILES

CCOc(cc1)ccc1-c(c(C#N)c(N)nc1SCC(c(cc2)cc(O)c2O)=O)c1C#N

InChI

InChI=1S/C23H18N4O4S/c1-2-31-15-6-3-13(4-7-15)21-16(10-24)22(26)27-23(17(21)11-25)32-12-20(30)14-5-8-18(28)19(29)9-14/h3-9,28-29H,2,12H2,1H3,(H2,26,27)

InChI Key

BOBPYBNIWXUQPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03059224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.599

Distribution Coefficient, logD

3.417

Water Solubility, LogSw

-3.82

Polar Surface Area

116.718

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4088-0111 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4088-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4088-0111?
Check Price and Availability of 4088-0111, 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 4088-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4088-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4088-0111
  • 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 4088-0111 available by request