8018-1612 Screening compound: 2-{1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide

8018-1612 Screening compound: 2-{1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
8018-1612 Screening compound: 2-{1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1612
2-{1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}-2-oxo-N-[4-(trifluoromethyl)phenyl]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

8018-1612

Molecular Formula

C24H16ClF3N2O2 (C24 H16 ClF3 N2 O2)

Compound Name

2-{1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(C(Nc1ccc(C(F)(F)F)cc1)=O)c1cn(Cc(cc2)ccc2Cl)c2c1cccc2

InChI

InChI=1S/C24H16ClF3N2O2/c25-17-9-5-15(6-10-17)13-30-14-20(19-3-1-2-4-21(19)30)22(31)23(32)29-18-11-7-16(8-12-18)24(26,27)28/h1-12,14H,13H2,(H,29,32)

InChI Key

YFFGQLOTPXIAQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07023041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.089

Distribution Coefficient, logD

6.089

Water Solubility, LogSw

-6.30

Polar Surface Area

38.800

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

8018-1612 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8018-1612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1612?
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What is the minimum amount of 8018-1612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1612
  • 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 8018-1612 available by request