8018-0839 Screening compound: 1-[1-(2-chlorobenzyl)-1H-indol-3-yl]-2-[2-(phenoxymethyl)morpholino]-1,2-ethanedione

8018-0839 Screening compound: 1-[1-(2-chlorobenzyl)-1H-indol-3-yl]-2-[2-(phenoxymethyl)morpholino]-1,2-ethanedione
8018-0839 Screening compound: 1-[1-(2-chlorobenzyl)-1H-indol-3-yl]-2-[2-(phenoxymethyl)morpholino]-1,2-ethanedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0839
1-[1-(2-chlorobenzyl)-1H-indol-3-yl]-2-[2-(phenoxymethyl)morpholino]-1,2-ethanedione

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

8018-0839

Molecular Formula

C28H25ClN2O4 (C28 H25 ClN2 O4)

Compound Name

1-[1-(2-chlorobenzyl)-1H-indol-3-yl]-2-[2-(phenoxymethyl)morpholino]-1,2-ethanedione

IUPAC name

1-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-2-[2-(phenoxymethyl)morpholin-4-yl]ethane-12-dione

SMILES

O=C(C(N1CC(COc2ccccc2)OCC1)=O)c1cn(Cc(cccc2)c2Cl)c2c1cccc2

InChI

InChI=1S/C28H25ClN2O4/c29-25-12-6-4-8-20(25)16-31-18-24(23-11-5-7-13-26(23)31)27(32)28(33)30-14-15-34-22(17-30)19-35-21-9-2-1-3-10-21/h1-13,18,22H,14-17,19H2/t22-/m1/s1

InChI Key

NISOZZPKRJQYBI-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD07022427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.074

Distribution Coefficient, logD

5.074

Water Solubility, LogSw

-5.22

Polar Surface Area

47.615

Acid Dissociation Constant (pKa)

26.27

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.43

8018-0839 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8018-0839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0839?
Check Price and Availability of 8018-0839, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8018-0839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0839
  • 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 8018-0839 available by request