Y030-7646 Screening compound: 2-(4-chlorophenoxy)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

Y030-7646 Screening compound: 2-(4-chlorophenoxy)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
Y030-7646 Screening compound: 2-(4-chlorophenoxy)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-7646
2-(4-chlorophenoxy)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

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

Y030-7646

Molecular Formula

C18H21ClN2O4S (C18 H21 ClN2 O4 S)

Compound Name

2-(4-chlorophenoxy)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

IUPAC name

2-(4-chlorophenoxy)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

SMILES

CC(C)(C(NCCc(cc1)ccc1S(N)(=O)=O)=O)Oc(cc1)ccc1Cl

InChI

InChI=1S/C18H21ClN2O4S/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)21-12-11-13-3-9-16(10-4-13)26(20,23)24/h3-10H,11-12H2,1-2H3,(H,21,22)(H2,20,23,24)

InChI Key

JPOXGMYSDHQYBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03637342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.275

Distribution Coefficient, logD

2.274

Water Solubility, LogSw

-3.27

Polar Surface Area

81.316

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

Y030-7646 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y030-7646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-7646?
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What is the minimum amount of Y030-7646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-7646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-7646
  • 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 Y030-7646 available by request