D330-0496 Screening compound: 3-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydro-1H-indol-2-one

D330-0496 Screening compound: 3-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydro-1H-indol-2-one
D330-0496 Screening compound: 3-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D330-0496
3-[(2-bromo-5-ethoxy-4-methoxyphenyl)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

D330-0496

Molecular Formula

C19H20BrNO3 (C19 H20 BrNO3)

Compound Name

3-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-5-methyl-23-dihydro-1H-indol-2-one

SMILES

CCOc(c(OC)c1)cc(CC(c(cc(C)cc2)c2N2)C2=O)c1Br

InChI

InChI=1S/C19H20BrNO3/c1-4-24-18-9-12(15(20)10-17(18)23-3)8-14-13-7-11(2)5-6-16(13)21-19(14)22/h5-7,9-10,14H,4,8H2,1-3H3,(H,21,22)/t14-/m0/s1

InChI Key

DMTLENGUNAYRDL-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD13967575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.928

Distribution Coefficient, logD

3.928

Water Solubility, LogSw

-3.95

Polar Surface Area

40.051

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D330-0496 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D330-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D330-0496?
Check Price and Availability of D330-0496, 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 D330-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D330-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D330-0496
  • 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 D330-0496 available by request