8006-4981 Screening compound: 2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]-N-(4'-{2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetamido}-3,3'-dimethoxy-[1,1'-biphenyl]-4-yl)acetamide

8006-4981 Screening compound: 2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]-N-(4'-{2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetamido}-3,3'-dimethoxy-[1,1'-biphenyl]-4-yl)acetamide
8006-4981 Screening compound: 2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]-N-(4'-{2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetamido}-3,3'-dimethoxy-[1,1'-biphenyl]-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4981
2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]-N-(4'-{2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetamido}-3,3'-dimethoxy-[1,1'-biphenyl]-4-yl)acetamide

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

8006-4981

Molecular Formula

C32H24N10O4S2 (C32 H24 N10 O4 S2)

Compound Name

2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]-N-(4'-{2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetamido}-3,3'-dimethoxy-[1,1'-biphenyl]-4-yl)acetamide

IUPAC name

2-[(6-amino-35-dicyanopyridin-2-yl)sulfanyl]-N-(4'-{2-[(6-amino-35-dicyanopyridin-2-yl)sulfanyl]acetamido}-33'-dimethoxy-[11'-biphenyl]-4-yl)acetamide

SMILES

COc(cc(cc1)-c(cc2)cc(OC)c2NC(CSc(c(C#N)c2)nc(N)c2C#N)=O)c1NC(CSc(c(C#N)c1)nc(N)c1C#N)=O

InChI

InChI=1S/C32H24N10O4S2/c1-45-25-9-17(3-5-23(25)39-27(43)15-47-31-21(13-35)7-19(11-33)29(37)41-31)18-4-6-24(26(10-18)46-2)40-28(44)16-48-32-22(14-36)8-20(12-34)30(38)42-32/h3-10H,15-16H2,1-2H3,(H2,37,41)(H2,38,42)(H,39,43)(H,40,44)

InChI Key

BAZZGSARONWVFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

676.74

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

3.466

Distribution Coefficient, logD

3.466

Water Solubility, LogSw

-3.92

Polar Surface Area

186.700

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8006-4981 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8006-4981 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8006-4981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4981
  • 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 8006-4981 available by request