D330-2296 Screening compound: 5-bromo-1-ethyl-3-{[4-(methylsulfanyl)phenyl]methyl}-2,3-dihydro-1H-indol-2-one

D330-2296 Screening compound: 5-bromo-1-ethyl-3-{[4-(methylsulfanyl)phenyl]methyl}-2,3-dihydro-1H-indol-2-one
D330-2296 Screening compound: 5-bromo-1-ethyl-3-{[4-(methylsulfanyl)phenyl]methyl}-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D330-2296
5-bromo-1-ethyl-3-{[4-(methylsulfanyl)phenyl]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

D330-2296

Molecular Formula

C18H18BrNOS (C18 H18 BrNOS)

Compound Name

5-bromo-1-ethyl-3-{[4-(methylsulfanyl)phenyl]methyl}-2,3-dihydro-1H-indol-2-one

IUPAC name

5-bromo-1-ethyl-3-{[4-(methylsulfanyl)phenyl]methyl}-23-dihydro-1H-indol-2-one

SMILES

CCN(C(C1Cc(cc2)ccc2SC)=O)c(cc2)c1cc2Br

InChI

InChI=1S/C18H18BrNOS/c1-3-20-17-9-6-13(19)11-15(17)16(18(20)21)10-12-4-7-14(22-2)8-5-12/h4-9,11,16H,3,10H2,1-2H3/t16-/m0/s1

InChI Key

SVZKNKCHLGZZQF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD13370023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.318

Distribution Coefficient, logD

5.317

Water Solubility, LogSw

-5.35

Polar Surface Area

15.432

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

D330-2296 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D330-2296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D330-2296?
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What is the minimum amount of D330-2296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D330-2296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D330-2296
  • 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 D330-2296 available by request