Y043-4871 Screening compound: 5,7-dimethoxy-4-methyl-6-[(E)-3-methyl-6-morpholino-6-oxo-2-hexenyl]-1(3H)-isobenzofuranone

Y043-4871 Screening compound: 5,7-dimethoxy-4-methyl-6-[(E)-3-methyl-6-morpholino-6-oxo-2-hexenyl]-1(3H)-isobenzofuranone
Y043-4871 Screening compound: 5,7-dimethoxy-4-methyl-6-[(E)-3-methyl-6-morpholino-6-oxo-2-hexenyl]-1(3H)-isobenzofuranone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-4871
5,7-dimethoxy-4-methyl-6-[(E)-3-methyl-6-morpholino-6-oxo-2-hexenyl]-1(3H)-isobenzofuranone

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

Y043-4871

Molecular Formula

C22H29NO6 (C22 H29 NO6)

Compound Name

5,7-dimethoxy-4-methyl-6-[(E)-3-methyl-6-morpholino-6-oxo-2-hexenyl]-1(3H)-isobenzofuranone

IUPAC name

57-dimethoxy-4-methyl-6-[(2E)-3-methyl-6-(morpholin-4-yl)-6-oxohex-2-en-1-yl]-13-dihydro-2-benzofuran-1-one

SMILES

C/C(/CCC(N1CCOCC1)=O)=C\Cc(c(OC)c(c(CO1)c2C)C1=O)c2OC

InChI

InChI=1S/C22H29NO6/c1-14(6-8-18(24)23-9-11-28-12-10-23)5-7-16-20(26-3)15(2)17-13-29-22(25)19(17)21(16)27-4/h5H,6-13H2,1-4H3

InChI Key

XGBOQAQJALOONV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28349912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.102

Distribution Coefficient, logD

3.102

Water Solubility, LogSw

-2.98

Polar Surface Area

62.274

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.54

References: we are preparing a list of scientific research reports with Y043-4871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-4871?
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What is the minimum amount of Y043-4871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-4871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-4871
  • 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 Y043-4871 available by request