Y040-4660 Screening compound: 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide

Y040-4660 Screening compound: 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
Y040-4660 Screening compound: 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4660
2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-sulfamoylphenyl)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

Y040-4660

Molecular Formula

C18H16FN3O3S2 (C18 H16 FN3 O3 S2)

Compound Name

2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide

IUPAC name

2-[2-(2-fluorophenyl)-13-thiazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide

SMILES

NS(c1ccc(CNC(Cc2csc(-c(cccc3)c3F)n2)=O)cc1)(=O)=O

InChI

InChI=1S/C18H16FN3O3S2/c19-16-4-2-1-3-15(16)18-22-13(11-26-18)9-17(23)21-10-12-5-7-14(8-6-12)27(20,24)25/h1-8,11H,9-10H2,(H,21,23)(H2,20,24,25)

InChI Key

PKLWOVTVTJESEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10041911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.309

Distribution Coefficient, logD

2.308

Water Solubility, LogSw

-2.98

Polar Surface Area

85.271

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

Y040-4660 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-4660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4660?
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What is the minimum amount of Y040-4660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4660
  • 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 Y040-4660 available by request