6415-1462 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-[2-oxobenzo[cd]indol-1(2H)-yl]acetamide

6415-1462 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-[2-oxobenzo[cd]indol-1(2H)-yl]acetamide
6415-1462 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-[2-oxobenzo[cd]indol-1(2H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6415-1462
N~1~-(3-chloro-4-fluorophenyl)-2-[2-oxobenzo[cd]indol-1(2H)-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

6415-1462

Molecular Formula

C19H12ClFN2O2 (C19 H12 ClFN2 O2)

Compound Name

N~1~-(3-chloro-4-fluorophenyl)-2-[2-oxobenzo[cd]indol-1(2H)-yl]acetamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-{3-oxo-2-azatricyclo[6.3.1.0^{412}]dodeca-1(12)46810-pentaen-2-yl}acetamide

SMILES

O=C(CN(c1cccc2cccc3c12)C3=O)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C19H12ClFN2O2/c20-14-9-12(7-8-15(14)21)22-17(24)10-23-16-6-2-4-11-3-1-5-13(18(11)16)19(23)25/h1-9H,10H2,(H,22,24)

InChI Key

YQPKDMZQLVCHSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04089479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.255

Distribution Coefficient, logD

4.246

Water Solubility, LogSw

-4.60

Polar Surface Area

38.585

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

6415-1462 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6415-1462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6415-1462?
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What is the minimum amount of 6415-1462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6415-1462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6415-1462
  • 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 6415-1462 available by request