8011-0889 Screening compound: 2-oxo-2-phenylethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate

8011-0889 Screening compound: 2-oxo-2-phenylethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
8011-0889 Screening compound: 2-oxo-2-phenylethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-0889
2-oxo-2-phenylethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate

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

8011-0889

Molecular Formula

C27H22ClNO5 (C27 H22 ClNO5)

Compound Name

2-oxo-2-phenylethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate

IUPAC name

2-oxo-2-phenylethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate

SMILES

Cc1c(CC(OCC(c2ccccc2)=O)=O)c(cc(cc2)OC)c2n1C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C27H22ClNO5/c1-17-22(15-26(31)34-16-25(30)18-6-4-3-5-7-18)23-14-21(33-2)12-13-24(23)29(17)27(32)19-8-10-20(28)11-9-19/h3-14H,15-16H2,1-2H3

InChI Key

GWXVZEDPUDCKCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02647798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.195

Distribution Coefficient, logD

5.195

Water Solubility, LogSw

-5.79

Polar Surface Area

56.432

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

-7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.81

8011-0889 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-0889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-0889?
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What is the minimum amount of 8011-0889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-0889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-0889
  • 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 8011-0889 available by request