8019-3903 Screening compound: ethyl 4-(2H-1,3-benzodioxol-5-yloxy)-3-(5-{[2-(2H-1,3-benzodioxol-5-yloxy)-5-(ethoxycarbonyl)phenyl]carbamoyl}pentanamido)benzoate

8019-3903 Screening compound: ethyl 4-(2H-1,3-benzodioxol-5-yloxy)-3-(5-{[2-(2H-1,3-benzodioxol-5-yloxy)-5-(ethoxycarbonyl)phenyl]carbamoyl}pentanamido)benzoate
8019-3903 Screening compound: ethyl 4-(2H-1,3-benzodioxol-5-yloxy)-3-(5-{[2-(2H-1,3-benzodioxol-5-yloxy)-5-(ethoxycarbonyl)phenyl]carbamoyl}pentanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3903
ethyl 4-(2H-1,3-benzodioxol-5-yloxy)-3-(5-{[2-(2H-1,3-benzodioxol-5-yloxy)-5-(ethoxycarbonyl)phenyl]carbamoyl}pentanamido)benzoate

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

8019-3903

Molecular Formula

C38H36N2O12 (C38 H36 N2 O12)

Compound Name

ethyl 4-(2H-1,3-benzodioxol-5-yloxy)-3-(5-{[2-(2H-1,3-benzodioxol-5-yloxy)-5-(ethoxycarbonyl)phenyl]carbamoyl}pentanamido)benzoate

IUPAC name

ethyl 4-(2H-13-benzodioxol-5-yloxy)-3-(5-{[2-(2H-13-benzodioxol-5-yloxy)-5-(ethoxycarbonyl)phenyl]carbamoyl}pentanamido)benzoate

SMILES

CCOC(c(cc1)cc(NC(CCCCC(Nc(cc(cc2)C(OCC)=O)c2Oc(cc2)cc3c2OCO3)=O)=O)c1Oc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C38H36N2O12/c1-3-45-37(43)23-9-13-29(51-25-11-15-31-33(19-25)49-21-47-31)27(17-23)39-35(41)7-5-6-8-36(42)40-28-18-24(38(44)46-4-2)10-14-30(28)52-26-12-16-32-34(20-26)50-22-48-32/h9-20H,3-8,21-22H2,1-2H3,(H,39,41)(H,40,42)

InChI Key

PRJUFSJKJPDGEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

712.71

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

5.904

Distribution Coefficient, logD

5.904

Water Solubility, LogSw

-5.39

Polar Surface Area

134.277

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

8019-3903 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 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:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • 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 8019-3903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3903?
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What is the minimum amount of 8019-3903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3903
  • 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 8019-3903 available by request