Y508-1005 Screening compound: 1-[2-isopropyl-4-(1-{5-isopropyl-4-[(4-methoxy-4-oxobutanoyl)oxy]-2-methylphenyl}-3-oxo-1,3-dihydro-1-isobenzofuranyl)-5-methylphenyl] 4-methyl succinate

Y508-1005 Screening compound: 1-[2-isopropyl-4-(1-{5-isopropyl-4-[(4-methoxy-4-oxobutanoyl)oxy]-2-methylphenyl}-3-oxo-1,3-dihydro-1-isobenzofuranyl)-5-methylphenyl] 4-methyl succinate
Y508-1005 Screening compound: 1-[2-isopropyl-4-(1-{5-isopropyl-4-[(4-methoxy-4-oxobutanoyl)oxy]-2-methylphenyl}-3-oxo-1,3-dihydro-1-isobenzofuranyl)-5-methylphenyl] 4-methyl succinate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-1005
1-[2-isopropyl-4-(1-{5-isopropyl-4-[(4-methoxy-4-oxobutanoyl)oxy]-2-methylphenyl}-3-oxo-1,3-dihydro-1-isobenzofuranyl)-5-methylphenyl] 4-methyl succinate

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

Y508-1005

Molecular Formula

C38H42O10 (C38 H42 O10)

Compound Name

1-[2-isopropyl-4-(1-{5-isopropyl-4-[(4-methoxy-4-oxobutanoyl)oxy]-2-methylphenyl}-3-oxo-1,3-dihydro-1-isobenzofuranyl)-5-methylphenyl] 4-methyl succinate

IUPAC name

n/a

SMILES

CC(C)c1cc(C(c2c3cccc2)(c(cc2C(C)C)c(C)cc2OC(CCC(OC)=O)=O)OC3=O)c(C)cc1OC(CCC(OC)=O)=O

InChI

InChI=1S/C38H42O10/c1-21(2)26-19-29(23(5)17-31(26)46-35(41)15-13-33(39)44-7)38(28-12-10-9-11-25(28)37(43)48-38)30-20-27(22(3)4)32(18-24(30)6)47-36(42)16-14-34(40)45-8/h9-12,17-22H,13-16H2,1-8H3

InChI Key

SUWTUCAGFWAXSN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

658.75

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

7.022

Distribution Coefficient, logD

7.022

Water Solubility, LogSw

-5.81

Polar Surface Area

102.190

Acid Dissociation Constant (pKa)

22.06

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.50

References: we are preparing a list of scientific research reports with Y508-1005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-1005?
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What is the minimum amount of Y508-1005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-1005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-1005
  • 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 Y508-1005 available by request