Y030-5068 Screening compound: 4-chloro-N-(1-methoxypropan-2-yl)benzene-1-sulfonamide

Y030-5068 Screening compound: 4-chloro-N-(1-methoxypropan-2-yl)benzene-1-sulfonamide
Y030-5068 Screening compound: 4-chloro-N-(1-methoxypropan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-5068
4-chloro-N-(1-methoxypropan-2-yl)benzene-1-sulfonamide

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

Y030-5068

Molecular Formula

C10H14ClNO3S (C10 H14 ClNO3 S)

Compound Name

4-chloro-N-(1-methoxypropan-2-yl)benzene-1-sulfonamide

IUPAC name

4-chloro-N-(1-methoxypropan-2-yl)benzene-1-sulfonamide

SMILES

CC(COC)NS(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C10H14ClNO3S/c1-8(7-15-2)12-16(13,14)10-5-3-9(11)4-6-10/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1

InChI Key

YHYOEJZBONKOTH-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD01185681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.383

Distribution Coefficient, logD

2.383

Water Solubility, LogSw

-3.01

Polar Surface Area

50.347

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

-5.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

Y030-5068 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y030-5068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-5068?
Check Price and Availability of Y030-5068, 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 Y030-5068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-5068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-5068
  • 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 Y030-5068 available by request