8016-2970 Screening compound: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(naphthalen-1-yl)acetamide

8016-2970 Screening compound: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(naphthalen-1-yl)acetamide
8016-2970 Screening compound: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(naphthalen-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2970
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(naphthalen-1-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

8016-2970

Molecular Formula

C29H23ClN2O3 (C29 H23 ClN2 O3)

Compound Name

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(naphthalen-1-yl)acetamide

IUPAC name

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(naphthalen-1-yl)acetamide

SMILES

Cc1c(CC(Nc2cccc3ccccc23)=O)c(cc(cc2)OC)c2n1C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C29H23ClN2O3/c1-18-24(17-28(33)31-26-9-5-7-19-6-3-4-8-23(19)26)25-16-22(35-2)14-15-27(25)32(18)29(34)20-10-12-21(30)13-11-20/h3-16H,17H2,1-2H3,(H,31,33)

InChI Key

JOTQJMDMMBTGAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05410893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.97

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

5.983

Distribution Coefficient, logD

5.983

Water Solubility, LogSw

-6.50

Polar Surface Area

44.830

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

8016-2970 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 8016-2970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2970?
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What is the minimum amount of 8016-2970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2970
  • 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 8016-2970 available by request