8018-0964 Screening compound: (1R,5R)-N-(2-fluorophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide

8018-0964 Screening compound: (1R,5R)-N-(2-fluorophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
8018-0964 Screening compound: (1R,5R)-N-(2-fluorophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0964
(1R,5R)-N-(2-fluorophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide

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

8018-0964

Molecular Formula

C18H18FN3OS (C18 H18 FN3 OS)

Compound Name

(1R,5R)-N-(2-fluorophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide

IUPAC name

(1S9R)-N-(2-fluorophenyl)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-diene-11-carbothioamide

SMILES

O=C1N(C[C@@H](C[C@H]2C3)CN3C(Nc(cccc3)c3F)=S)C2=CC=C1

InChI

InChI=1S/C18H18FN3OS/c19-14-4-1-2-5-15(14)20-18(24)21-9-12-8-13(11-21)16-6-3-7-17(23)22(16)10-12/h1-7,12-13H,8-11H2,(H,20,24)/t12-,13+/m1/s1

InChI Key

MDUBHQXXFVABLX-OLZOCXBDSA-N

MDL Number (MFCD)

MFCD04142839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.519

Distribution Coefficient, logD

3.519

Water Solubility, LogSw

-3.66

Polar Surface Area

26.138

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

8018-0964 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-0964 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8018-0964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0964
  • 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 8018-0964 available by request