8018-5539 Screening compound: 3,3-dimethyl-5-oxo-5-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-ylamino)pentanoic acid

8018-5539 Screening compound: 3,3-dimethyl-5-oxo-5-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-ylamino)pentanoic acid
8018-5539 Screening compound: 3,3-dimethyl-5-oxo-5-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-ylamino)pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5539
3,3-dimethyl-5-oxo-5-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-ylamino)pentanoic acid

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

8018-5539

Molecular Formula

C19H23NO4 (C19 H23 NO4)

Compound Name

3,3-dimethyl-5-oxo-5-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-ylamino)pentanoic acid

IUPAC name

33-dimethyl-4-({8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)246-tetraen-4-yl}carbamoyl)butanoic acid

SMILES

CC(C)(CC(Nc(cc1)cc2c1oc1c2CCCC1)=O)CC(O)=O

InChI

InChI=1S/C19H23NO4/c1-19(2,11-18(22)23)10-17(21)20-12-7-8-16-14(9-12)13-5-3-4-6-15(13)24-16/h7-9H,3-6,10-11H2,1-2H3,(H,20,21)(H,22,23)

InChI Key

UWUZCLHLXCTCOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.255

Distribution Coefficient, logD

0.719

Water Solubility, LogSw

-3.36

Polar Surface Area

59.887

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

8018-5539 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-5539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5539?
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What is the minimum amount of 8018-5539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5539
  • 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 8018-5539 available by request