3830-0897 Screening compound: 2-amino-4-(5-methyl-4-nitrothiophen-2-yl)-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridine-3-carbonitrile

3830-0897 Screening compound: 2-amino-4-(5-methyl-4-nitrothiophen-2-yl)-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridine-3-carbonitrile
3830-0897 Screening compound: 2-amino-4-(5-methyl-4-nitrothiophen-2-yl)-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3830-0897
2-amino-4-(5-methyl-4-nitrothiophen-2-yl)-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridine-3-carbonitrile

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

3830-0897

Molecular Formula

C17H18N4O2S (C17 H18 N4 O2 S)

Compound Name

2-amino-4-(5-methyl-4-nitrothiophen-2-yl)-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridine-3-carbonitrile

IUPAC name

2-amino-4-(5-methyl-4-nitrothiophen-2-yl)-5H6H7H8H9H10H-cycloocta[b]pyridine-3-carbonitrile

SMILES

Cc(sc(-c(c(CCCCCC1)c1nc1N)c1C#N)c1)c1[N+]([O-])=O

InChI

InChI=1S/C17H18N4O2S/c1-10-14(21(22)23)8-15(24-10)16-11-6-4-2-3-5-7-13(11)20-17(19)12(16)9-18/h8H,2-7H2,1H3,(H2,19,20)

InChI Key

FBSYBFQHNSGBNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01118653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.550

Distribution Coefficient, logD

4.550

Water Solubility, LogSw

-4.67

Polar Surface Area

82.187

Acid Dissociation Constant (pKa)

18.76

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

3830-0897 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 3830-0897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3830-0897?
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What is the minimum amount of 3830-0897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3830-0897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3830-0897
  • 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 3830-0897 available by request