3830-0895 Screening compound: 2-amino-4-(4-bromo-5-methylthiophen-2-yl)-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridine-3-carbonitrile

3830-0895 Screening compound: 2-amino-4-(4-bromo-5-methylthiophen-2-yl)-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridine-3-carbonitrile
3830-0895 Screening compound: 2-amino-4-(4-bromo-5-methylthiophen-2-yl)-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3830-0895
2-amino-4-(4-bromo-5-methylthiophen-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

3830-0895

Molecular Formula

C17H18BrN3S (C17 H18 BrN3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(sc(-c(c(CCCCCC1)c1nc1N)c1C#N)c1)c1Br

InChI

InChI=1S/C17H18BrN3S/c1-10-13(18)8-15(22-10)16-11-6-4-2-3-5-7-14(11)21-17(20)12(16)9-19/h8H,2-7H2,1H3,(H2,20,21)

InChI Key

WMPSRIILYLHPNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01118651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.294

Distribution Coefficient, logD

5.294

Water Solubility, LogSw

-5.31

Polar Surface Area

49.106

Acid Dissociation Constant (pKa)

18.76

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

3830-0895 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

C-Met Library (15277 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3830-0895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3830-0895?
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What is the minimum amount of 3830-0895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3830-0895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3830-0895
  • 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 3830-0895 available by request