Y050-0128 Screening compound: 1-(3-chloro-4-methoxybenzenesulfonyl)-2,3-dihydro-1H-indole

Y050-0128 Screening compound: 1-(3-chloro-4-methoxybenzenesulfonyl)-2,3-dihydro-1H-indole
Y050-0128 Screening compound: 1-(3-chloro-4-methoxybenzenesulfonyl)-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-0128
1-(3-chloro-4-methoxybenzenesulfonyl)-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

Y050-0128

Molecular Formula

C15H14ClNO3S (C15 H14 ClNO3 S)

Compound Name

1-(3-chloro-4-methoxybenzenesulfonyl)-2,3-dihydro-1H-indole

IUPAC name

1-(3-chloro-4-methoxybenzenesulfonyl)-23-dihydro-1H-indole

SMILES

COc(ccc(S(N(CC1)c2c1cccc2)(=O)=O)c1)c1Cl

InChI

InChI=1S/C15H14ClNO3S/c1-20-15-7-6-12(10-13(15)16)21(18,19)17-9-8-11-4-2-3-5-14(11)17/h2-7,10H,8-9H2,1H3

InChI Key

PTFYXCICJRQNLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05838353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.249

Distribution Coefficient, logD

3.249

Water Solubility, LogSw

-3.52

Polar Surface Area

39.387

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

-10.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y050-0128 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y050-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-0128?
Check Price and Availability of Y050-0128, 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 Y050-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-0128
  • 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 Y050-0128 available by request