8003-4540 Screening compound: 2-{[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide

8003-4540 Screening compound: 2-{[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
8003-4540 Screening compound: 2-{[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4540
2-{[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-N-(3-nitrophenyl)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

8003-4540

Molecular Formula

C21H13FN6O3S (C21 H13 FN6 O3 S)

Compound Name

2-{[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide

IUPAC name

2-{[6-amino-35-dicyano-4-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide

SMILES

Nc(nc(c(C#N)c1-c(cc2)ccc2F)SCC(Nc2cc([N+]([O-])=O)ccc2)=O)c1C#N

InChI

InChI=1S/C21H13FN6O3S/c22-13-6-4-12(5-7-13)19-16(9-23)20(25)27-21(17(19)10-24)32-11-18(29)26-14-2-1-3-15(8-14)28(30)31/h1-8H,11H2,(H2,25,27)(H,26,29)

InChI Key

GZPFRPWAHGWYJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00743848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.869

Distribution Coefficient, logD

3.868

Water Solubility, LogSw

-4.46

Polar Surface Area

119.783

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8003-4540 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8003-4540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4540?
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What is the minimum amount of 8003-4540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4540
  • 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 8003-4540 available by request