Y050-0745 Screening compound: 2-{2-methyl-4-[(propan-2-yl)sulfamoyl]phenoxy}-N-[(pyridin-4-yl)methyl]acetamide

Y050-0745 Screening compound: 2-{2-methyl-4-[(propan-2-yl)sulfamoyl]phenoxy}-N-[(pyridin-4-yl)methyl]acetamide
Y050-0745 Screening compound: 2-{2-methyl-4-[(propan-2-yl)sulfamoyl]phenoxy}-N-[(pyridin-4-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-0745
2-{2-methyl-4-[(propan-2-yl)sulfamoyl]phenoxy}-N-[(pyridin-4-yl)methyl]acetamide

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

Y050-0745

Molecular Formula

C18H23N3O4S (C18 H23 N3 O4 S)

Compound Name

2-{2-methyl-4-[(propan-2-yl)sulfamoyl]phenoxy}-N-[(pyridin-4-yl)methyl]acetamide

IUPAC name

2-{2-methyl-4-[(propan-2-yl)sulfamoyl]phenoxy}-N-[(pyridin-4-yl)methyl]acetamide

SMILES

CC(C)NS(c(cc1)cc(C)c1OCC(NCc1ccncc1)=O)(=O)=O

InChI

InChI=1S/C18H23N3O4S/c1-13(2)21-26(23,24)16-4-5-17(14(3)10-16)25-12-18(22)20-11-15-6-8-19-9-7-15/h4-10,13,21H,11-12H2,1-3H3,(H,20,22)

InChI Key

FDIFIWUTWGZLSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08069622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.750

Distribution Coefficient, logD

1.747

Water Solubility, LogSw

-2.34

Polar Surface Area

82.670

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y050-0745 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y050-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-0745?
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What is the minimum amount of Y050-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-0745
  • 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 Y050-0745 available by request