8020-2829 Screening compound: methyl 3,4,5-trimethoxy-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamido]benzoate

8020-2829 Screening compound: methyl 3,4,5-trimethoxy-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamido]benzoate
8020-2829 Screening compound: methyl 3,4,5-trimethoxy-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2829
methyl 3,4,5-trimethoxy-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamido]benzoate

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

8020-2829

Molecular Formula

C28H26N2O7 (C28 H26 N2 O7)

Compound Name

methyl 3,4,5-trimethoxy-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamido]benzoate

IUPAC name

methyl 345-trimethoxy-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamido]benzoate

SMILES

Cn1c(-c2ccccc2)c(C(C(Nc(c(OC)c(c(OC)c2)OC)c2C(OC)=O)=O)=O)c2c1cccc2

InChI

InChI=1S/C28H26N2O7/c1-30-19-14-10-9-13-17(19)21(23(30)16-11-7-6-8-12-16)24(31)27(32)29-22-18(28(33)37-5)15-20(34-2)25(35-3)26(22)36-4/h6-15H,1-5H3,(H,29,32)

InChI Key

WJKSCKFNKJJZSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12972461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.011

Distribution Coefficient, logD

1.634

Water Solubility, LogSw

-4.37

Polar Surface Area

80.951

Acid Dissociation Constant (pKa)

5.02

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

8020-2829 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8020-2829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2829?
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What is the minimum amount of 8020-2829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2829
  • 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 8020-2829 available by request