Y031-6081 Screening compound: 1-[2-(propane-1-sulfonyl)benzoyl]-2,3-dihydro-1H-indole

Y031-6081 Screening compound: 1-[2-(propane-1-sulfonyl)benzoyl]-2,3-dihydro-1H-indole
Y031-6081 Screening compound: 1-[2-(propane-1-sulfonyl)benzoyl]-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6081
1-[2-(propane-1-sulfonyl)benzoyl]-2,3-dihydro-1H-indole

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

Y031-6081

Molecular Formula

C18H19NO3S (C18 H19 NO3 S)

Compound Name

1-[2-(propane-1-sulfonyl)benzoyl]-2,3-dihydro-1H-indole

IUPAC name

1-[2-(propane-1-sulfonyl)benzoyl]-23-dihydro-1H-indole

SMILES

CCCS(c(cccc1)c1C(N(CC1)c2c1cccc2)=O)(=O)=O

InChI

InChI=1S/C18H19NO3S/c1-2-13-23(21,22)17-10-6-4-8-15(17)18(20)19-12-11-14-7-3-5-9-16(14)19/h3-10H,2,11-13H2,1H3

InChI Key

KALNIXRCIVTJLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09458836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.255

Distribution Coefficient, logD

3.255

Water Solubility, LogSw

-3.68

Polar Surface Area

44.954

Acid Dissociation Constant (pKa)

21.59

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

Y031-6081 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-6081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6081?
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What is the minimum amount of Y031-6081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6081
  • 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 Y031-6081 available by request