Y501-5592 Screening compound: 5-(4-chlorophenyl)-2-((E)-1-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}methylidene)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

Y501-5592 Screening compound: 5-(4-chlorophenyl)-2-((E)-1-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}methylidene)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Y501-5592 Screening compound: 5-(4-chlorophenyl)-2-((E)-1-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}methylidene)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-5592
5-(4-chlorophenyl)-2-((E)-1-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}methylidene)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

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

Y501-5592

Molecular Formula

C35H26ClF2N3O4S (C35 H26 ClF2 N3 O4 S)

Compound Name

5-(4-chlorophenyl)-2-((E)-1-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}methylidene)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

IUPAC name

(2E)-5-(4-chlorophenyl)-2-({3-[(24-difluorophenoxy)methyl]-4-methoxyphenyl}methylidene)-7-methyl-3-oxo-N-phenyl-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxamide

SMILES

CC(N=C(N(C1c(cc2)ccc2Cl)C2=O)S/C2=C/c(cc2)cc(COc(ccc(F)c3)c3F)c2OC)=C1C(Nc1ccccc1)=O

InChI

InChI=1S/C35H26ClF2N3O4S/c1-20-31(33(42)40-26-6-4-3-5-7-26)32(22-9-11-24(36)12-10-22)41-34(43)30(46-35(41)39-20)17-21-8-14-28(44-2)23(16-21)19-45-29-15-13-25(37)18-27(29)38/h3-18,32H,19H2,1-2H3,(H,40,42)/t32-/m0/s1

InChI Key

XKIDIBBYCPEKMX-YTTGMZPUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

658.12

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.980

Distribution Coefficient, logD

6.980

Water Solubility, LogSw

-6.41

Polar Surface Area

63.030

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.43

References: we are preparing a list of scientific research reports with Y501-5592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-5592?
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What is the minimum amount of Y501-5592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-5592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-5592
  • 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 Y501-5592 available by request