D330-0085 Screening compound: 3-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,3-dihydro-1H-indol-2-one

D330-0085 Screening compound: 3-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,3-dihydro-1H-indol-2-one
D330-0085 Screening compound: 3-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D330-0085
3-[(3-bromo-4,5-diethoxyphenyl)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

D330-0085

Molecular Formula

C19H20BrNO3 (C19 H20 BrNO3)

Compound Name

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

IUPAC name

3-[(3-bromo-45-diethoxyphenyl)methyl]-23-dihydro-1H-indol-2-one

SMILES

CCOc1cc(CC(c(cccc2)c2N2)C2=O)cc(Br)c1OCC

InChI

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

InChI Key

GWYTVLNZQOTQTE-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD13967384

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

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.566

Distribution Coefficient, logD

4.566

Water Solubility, LogSw

-4.33

Polar Surface Area

39.718

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D330-0085 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D330-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D330-0085?
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What is the minimum amount of D330-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D330-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D330-0085
  • 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 D330-0085 available by request