8003-8177 Screening compound: 4-[(4-methoxy-4-oxobutanoyl)oxy]phenyl 1-methyl butanedioate

8003-8177 Screening compound: 4-[(4-methoxy-4-oxobutanoyl)oxy]phenyl 1-methyl butanedioate
8003-8177 Screening compound: 4-[(4-methoxy-4-oxobutanoyl)oxy]phenyl 1-methyl butanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-8177
4-[(4-methoxy-4-oxobutanoyl)oxy]phenyl 1-methyl butanedioate

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

8003-8177

Molecular Formula

C16H18O8 (C16 H18 O8)

Compound Name

4-[(4-methoxy-4-oxobutanoyl)oxy]phenyl 1-methyl butanedioate

IUPAC name

4-[(4-methoxy-4-oxobutanoyl)oxy]phenyl 1-methyl butanedioate

SMILES

COC(CCC(Oc(cc1)ccc1OC(CCC(OC)=O)=O)=O)=O

InChI

InChI=1S/C16H18O8/c1-21-13(17)7-9-15(19)23-11-3-5-12(6-4-11)24-16(20)10-8-14(18)22-2/h3-6H,7-10H2,1-2H3

InChI Key

HGWYZYPWILFQJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00291947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.31

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.550

Distribution Coefficient, logD

1.550

Water Solubility, LogSw

-1.66

Polar Surface Area

81.505

Acid Dissociation Constant (pKa)

22.06

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

8003-8177 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8003-8177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-8177?
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What is the minimum amount of 8003-8177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-8177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-8177
  • 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 8003-8177 available by request