8020-2828 Screening compound: N-(2-{4,5-dimethoxy-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamido]phenyl}ethyl)acetamide

8020-2828 Screening compound: N-(2-{4,5-dimethoxy-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamido]phenyl}ethyl)acetamide
8020-2828 Screening compound: N-(2-{4,5-dimethoxy-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamido]phenyl}ethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2828
N-(2-{4,5-dimethoxy-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamido]phenyl}ethyl)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

8020-2828

Molecular Formula

C29H29N3O5 (C29 H29 N3 O5)

Compound Name

N-(2-{4,5-dimethoxy-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamido]phenyl}ethyl)acetamide

IUPAC name

N-(2-{45-dimethoxy-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamido]phenyl}ethyl)acetamide

SMILES

CC(NCCc(cc(c(OC)c1)OC)c1NC(C(c1c(-c2ccccc2)n(C)c2c1cccc2)=O)=O)=O

InChI

InChI=1S/C29H29N3O5/c1-18(33)30-15-14-20-16-24(36-3)25(37-4)17-22(20)31-29(35)28(34)26-21-12-8-9-13-23(21)32(2)27(26)19-10-6-5-7-11-19/h5-13,16-17H,14-15H2,1-4H3,(H,30,33)(H,31,35)

InChI Key

SRDOGROYOQCQDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12972460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.251

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-3.71

Polar Surface Area

77.097

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

8020-2828 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Anti-HIV1 Library (19540 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8020-2828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2828?
Check Price and Availability of 8020-2828, 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 8020-2828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2828
  • 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 8020-2828 available by request