Y044-2326 Screening compound: (E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-5-isobenzofuranyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-hexenamide

Y044-2326 Screening compound: (E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-5-isobenzofuranyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-hexenamide
Y044-2326 Screening compound: (E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-5-isobenzofuranyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-hexenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-2326
(E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-5-isobenzofuranyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-hexenamide

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

Y044-2326

Molecular Formula

C22H26N2O5S (C22 H26 N2 O5 S)

Compound Name

(E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-5-isobenzofuranyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-hexenamide

IUPAC name

(4E)-6-(46-dimethoxy-7-methyl-3-oxo-13-dihydro-2-benzofuran-5-yl)-4-methyl-N-(5-methyl-13-thiazol-2-yl)hex-4-enamide

SMILES

C/C(/CCC(Nc1ncc(C)s1)=O)=C\Cc(c(OC)c(c(CO1)c2C)C1=O)c2OC

InChI

InChI=1S/C22H26N2O5S/c1-12(7-9-17(25)24-22-23-10-13(2)30-22)6-8-15-19(27-4)14(3)16-11-29-21(26)18(16)20(15)28-5/h6,10H,7-9,11H2,1-5H3,(H,23,24,25)

InChI Key

CRMOCLFLAFPELQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.52

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

5.057

Distribution Coefficient, logD

5.033

Water Solubility, LogSw

-4.72

Polar Surface Area

71.691

Acid Dissociation Constant (pKa)

8.63

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with Y044-2326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-2326?
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What is the minimum amount of Y044-2326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-2326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-2326
  • 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 Y044-2326 available by request