5785-1359 Screening compound: N~11~-(4-fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide

5785-1359 Screening compound: N~11~-(4-fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide
5785-1359 Screening compound: N~11~-(4-fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5785-1359
N~11~-(4-fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide

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

5785-1359

Molecular Formula

C18H18FN3O2 (C18 H18 FN3 O2)

Compound Name

N~11~-(4-fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide

IUPAC name

N-(4-fluorophenyl)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-diene-11-carboxamide

SMILES

O=C(Nc(cc1)ccc1F)N(CC(C1)CN23)CC1C3=CC=CC2=O

InChI

InChI=1S/C18H18FN3O2/c19-14-4-6-15(7-5-14)20-18(24)21-9-12-8-13(11-21)16-2-1-3-17(23)22(16)10-12/h1-7,12-13H,8-11H2,(H,20,24)

InChI Key

GJUPPFYXYGAPLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.794

Distribution Coefficient, logD

2.794

Water Solubility, LogSw

-3.34

Polar Surface Area

41.406

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

5785-1359 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5785-1359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5785-1359?
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What is the minimum amount of 5785-1359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5785-1359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5785-1359
  • 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 5785-1359 available by request