8018-6716 Screening compound: 2-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-2-oxo-N-[(oxolan-2-yl)methyl]acetamide

8018-6716 Screening compound: 2-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-2-oxo-N-[(oxolan-2-yl)methyl]acetamide
8018-6716 Screening compound: 2-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-2-oxo-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6716
2-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-2-oxo-N-[(oxolan-2-yl)methyl]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

8018-6716

Molecular Formula

C22H21ClN2O3 (C22 H21 ClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(NCC1OCCC1)=O)c1cn(Cc(cccc2)c2Cl)c2c1cccc2

InChI

InChI=1S/C22H21ClN2O3/c23-19-9-3-1-6-15(19)13-25-14-18(17-8-2-4-10-20(17)25)21(26)22(27)24-12-16-7-5-11-28-16/h1-4,6,8-10,14,16H,5,7,11-13H2,(H,24,27)/t16-/m1/s1

InChI Key

YMDYKNLQQOIQRC-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD08142349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.395

Distribution Coefficient, logD

3.395

Water Solubility, LogSw

-3.87

Polar Surface Area

48.777

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

8018-6716 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8018-6716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6716?
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What is the minimum amount of 8018-6716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6716
  • 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 8018-6716 available by request