8018-4571 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-2-(4-iodo-1H-pyrazol-1-yl)acetamide

8018-4571 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-2-(4-iodo-1H-pyrazol-1-yl)acetamide
8018-4571 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-2-(4-iodo-1H-pyrazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4571
N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-2-(4-iodo-1H-pyrazol-1-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

8018-4571

Molecular Formula

C16H17IN4OS (C16 H17 IN4 OS)

Compound Name

N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-2-(4-iodo-1H-pyrazol-1-yl)acetamide

IUPAC name

N-{3-cyano-4H5H6H7H8H9H-cycloocta[b]thiophen-2-yl}-2-(4-iodo-1H-pyrazol-1-yl)acetamide

SMILES

N#Cc1c(NC(Cn2ncc(I)c2)=O)sc2c1CCCCCC2

InChI

InChI=1S/C16H17IN4OS/c17-11-8-19-21(9-11)10-15(22)20-16-13(7-18)12-5-3-1-2-4-6-14(12)23-16/h8-9H,1-6,10H2,(H,20,22)

InChI Key

VAGLCFXAMAVNCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.200

Distribution Coefficient, logD

3.032

Water Solubility, LogSw

-4.19

Polar Surface Area

54.996

Acid Dissociation Constant (pKa)

6.26

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

8018-4571 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 8018-4571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4571?
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What is the minimum amount of 8018-4571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4571
  • 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 8018-4571 available by request