8014-3823 Screening compound: 6-(4-bromophenyl)-3-[2-(4-{2-[6-(4-bromophenyl)-3,5,5-trimethyl-2,4-dioxotetrahydro-2H-pyran-3-yl]acetyl}phenyl)-2-oxoethyl]-3,5,5-trimethyldihydro-2H-pyran-2,4(3H)-dione

8014-3823 Screening compound: 6-(4-bromophenyl)-3-[2-(4-{2-[6-(4-bromophenyl)-3,5,5-trimethyl-2,4-dioxotetrahydro-2H-pyran-3-yl]acetyl}phenyl)-2-oxoethyl]-3,5,5-trimethyldihydro-2H-pyran-2,4(3H)-dione
8014-3823 Screening compound: 6-(4-bromophenyl)-3-[2-(4-{2-[6-(4-bromophenyl)-3,5,5-trimethyl-2,4-dioxotetrahydro-2H-pyran-3-yl]acetyl}phenyl)-2-oxoethyl]-3,5,5-trimethyldihydro-2H-pyran-2,4(3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-3823
6-(4-bromophenyl)-3-[2-(4-{2-[6-(4-bromophenyl)-3,5,5-trimethyl-2,4-dioxotetrahydro-2H-pyran-3-yl]acetyl}phenyl)-2-oxoethyl]-3,5,5-trimethyldihydro-2H-pyran-2,4(3H)-dione

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

8014-3823

Molecular Formula

C38H36Br2O8 (C38 H36 Br2 O8)

Compound Name

6-(4-bromophenyl)-3-[2-(4-{2-[6-(4-bromophenyl)-3,5,5-trimethyl-2,4-dioxotetrahydro-2H-pyran-3-yl]acetyl}phenyl)-2-oxoethyl]-3,5,5-trimethyldihydro-2H-pyran-2,4(3H)-dione

IUPAC name

6-(4-bromophenyl)-3-[2-(4-{2-[6-(4-bromophenyl)-355-trimethyl-24-dioxooxan-3-yl]acetyl}phenyl)-2-oxoethyl]-355-trimethyloxane-24-dione

SMILES

CC(C)(C(c(cc1)ccc1Br)OC(C1(C)CC(c(cc2)ccc2C(CC(C)(C(C(C)(C)C(c(cc2)ccc2Br)O2)=O)C2=O)=O)=O)=O)C1=O

InChI

InChI=1S/C38H36Br2O8/c1-35(2)29(23-11-15-25(39)16-12-23)47-33(45)37(5,31(35)43)19-27(41)21-7-9-22(10-8-21)28(42)20-38(6)32(44)36(3,4)30(48-34(38)46)24-13-17-26(40)18-14-24/h7-18,29-30H,19-20H2,1-6H3

InChI Key

ATDGVDBLMGMNRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

780.51

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

8.037

Distribution Coefficient, logD

8.037

Water Solubility, LogSw

-5.87

Polar Surface Area

95.362

Acid Dissociation Constant (pKa)

21.36

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

36.84

8014-3823 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8014-3823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-3823?
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What is the minimum amount of 8014-3823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-3823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-3823
  • 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 8014-3823 available by request