5441-1096 Screening compound: 3-hydroxy-3-[5-(2-methylbutan-2-yl)-2-oxocyclohexyl]-2,3-dihydro-1H-indol-2-one

5441-1096 Screening compound: 3-hydroxy-3-[5-(2-methylbutan-2-yl)-2-oxocyclohexyl]-2,3-dihydro-1H-indol-2-one
5441-1096 Screening compound: 3-hydroxy-3-[5-(2-methylbutan-2-yl)-2-oxocyclohexyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5441-1096
3-hydroxy-3-[5-(2-methylbutan-2-yl)-2-oxocyclohexyl]-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

5441-1096

Molecular Formula

C19H25NO3 (C19 H25 NO3)

Compound Name

3-hydroxy-3-[5-(2-methylbutan-2-yl)-2-oxocyclohexyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

3-hydroxy-3-[5-(2-methylbutan-2-yl)-2-oxocyclohexyl]-23-dihydro-1H-indol-2-one

SMILES

CCC(C)(C)C(CC1)CC(C(c(cccc2)c2N2)(C2=O)O)C1=O

InChI

InChI=1S/C19H25NO3/c1-4-18(2,3)12-9-10-16(21)14(11-12)19(23)13-7-5-6-8-15(13)20-17(19)22/h5-8,12,14,23H,4,9-11H2,1-3H3,(H,20,22)

InChI Key

WCACBDNVHOXDEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.004

Distribution Coefficient, logD

3.004

Water Solubility, LogSw

-3.39

Polar Surface Area

53.543

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

57.90

5441-1096 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5441-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5441-1096?
Check Price and Availability of 5441-1096, 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 5441-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5441-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5441-1096
  • 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 5441-1096 available by request