D330-0314 Screening compound: 5-chloro-3-[(5-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-indol-2-one

D330-0314 Screening compound: 5-chloro-3-[(5-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-indol-2-one
D330-0314 Screening compound: 5-chloro-3-[(5-methylthiophen-2-yl)methyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D330-0314
5-chloro-3-[(5-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

D330-0314

Molecular Formula

C14H12ClNOS (C14 H12 ClNOS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CC(c(cc(cc2)Cl)c2N2)C2=O)s1

InChI

InChI=1S/C14H12ClNOS/c1-8-2-4-10(18-8)7-12-11-6-9(15)3-5-13(11)16-14(12)17/h2-6,12H,7H2,1H3,(H,16,17)/t12-/m0/s1

InChI Key

KPUMVFCEHWPHRF-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD13967653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.77

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

4.096

Distribution Coefficient, logD

4.094

Water Solubility, LogSw

-4.34

Polar Surface Area

26.229

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

D330-0314 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D330-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D330-0314?
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What is the minimum amount of D330-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D330-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D330-0314
  • 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 D330-0314 available by request