8001-8198 Screening compound: 2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]-N-tert-butylacetamide

8001-8198 Screening compound: 2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]-N-tert-butylacetamide
8001-8198 Screening compound: 2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]-N-tert-butylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-8198
2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]-N-tert-butylacetamide

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

8001-8198

Molecular Formula

C13H15N5OS (C13 H15 N5 OS)

Compound Name

2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]-N-tert-butylacetamide

IUPAC name

2-[(6-amino-35-dicyanopyridin-2-yl)sulfanyl]-N-tert-butylacetamide

SMILES

CC(C)(C)NC(CSc(c(C#N)c1)nc(N)c1C#N)=O

InChI

InChI=1S/C13H15N5OS/c1-13(2,3)18-10(19)7-20-12-9(6-15)4-8(5-14)11(16)17-12/h4H,7H2,1-3H3,(H2,16,17)(H,18,19)

InChI Key

UAKPIKDUQLMHJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00473222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.433

Distribution Coefficient, logD

1.433

Water Solubility, LogSw

-2.40

Polar Surface Area

87.090

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

8001-8198 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8001-8198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-8198?
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What is the minimum amount of 8001-8198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-8198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-8198
  • 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 8001-8198 available by request