D330-0563 Screening compound: 3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-5-methyl-2,3-dihydro-1H-indol-2-one

D330-0563 Screening compound: 3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-5-methyl-2,3-dihydro-1H-indol-2-one
D330-0563 Screening compound: 3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-5-methyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D330-0563
3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-5-methyl-2,3-dihydro-1H-indol-2-one

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

D330-0563

Molecular Formula

C20H19NO2 (C20 H19 NO2)

Compound Name

3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-5-methyl-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[(37-dimethyl-1-benzofuran-2-yl)methyl]-5-methyl-23-dihydro-1H-indol-2-one

SMILES

Cc1c(CC(c(cc(C)cc2)c2N2)C2=O)oc2c1cccc2C

InChI

InChI=1S/C20H19NO2/c1-11-7-8-17-15(9-11)16(20(22)21-17)10-18-13(3)14-6-4-5-12(2)19(14)23-18/h4-9,16H,10H2,1-3H3,(H,21,22)/t16-/m0/s1

InChI Key

ZQJJMDRKMHBWJF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD13967507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.554

Distribution Coefficient, logD

4.554

Water Solubility, LogSw

-4.39

Polar Surface Area

33.140

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D330-0563 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D330-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D330-0563?
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What is the minimum amount of D330-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D330-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D330-0563
  • 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 D330-0563 available by request