D330-0198 Screening compound: 5-bromo-3-[(3-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-indol-2-one

D330-0198 Screening compound: 5-bromo-3-[(3-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-indol-2-one
D330-0198 Screening compound: 5-bromo-3-[(3-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D330-0198
5-bromo-3-[(3-methylthiophen-2-yl)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

D330-0198

Molecular Formula

C14H12BrNOS (C14 H12 BrNOS)

Compound Name

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

IUPAC name

5-bromo-3-[(3-methylthiophen-2-yl)methyl]-23-dihydro-1H-indol-2-one

SMILES

Cc1c(CC(c(cc(cc2)Br)c2N2)C2=O)scc1

InChI

InChI=1S/C14H12BrNOS/c1-8-4-5-18-13(8)7-11-10-6-9(15)2-3-12(10)16-14(11)17/h2-6,11H,7H2,1H3,(H,16,17)/t11-/m0/s1

InChI Key

VHNUOMMKZJHRGA-NSHDSACASA-N

MDL Number (MFCD)

MFCD13372741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.23

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.138

Distribution Coefficient, logD

4.136

Water Solubility, LogSw

-4.23

Polar Surface Area

26.229

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

D330-0198 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D330-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D330-0198?
Check Price and Availability of D330-0198, 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 D330-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D330-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D330-0198
  • 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 D330-0198 available by request