D047-0113 Screening compound: 4-[(2-methoxydibenzo[b,d]furan-3-yl)amino]-4-oxobutanoic acid

D047-0113 Screening compound: 4-[(2-methoxydibenzo[b,d]furan-3-yl)amino]-4-oxobutanoic acid
D047-0113 Screening compound: 4-[(2-methoxydibenzo[b,d]furan-3-yl)amino]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D047-0113
4-[(2-methoxydibenzo[b,d]furan-3-yl)amino]-4-oxobutanoic 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

D047-0113

Molecular Formula

C17H15NO5 (C17 H15 NO5)

Compound Name

4-[(2-methoxydibenzo[b,d]furan-3-yl)amino]-4-oxobutanoic acid

IUPAC name

3-({4-methoxy-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaen-5-yl}carbamoyl)propanoic acid

SMILES

COc(cc(c(cccc1)c1o1)c1c1)c1NC(CCC(O)=O)=O

InChI

InChI=1S/C17H15NO5/c1-22-15-8-11-10-4-2-3-5-13(10)23-14(11)9-12(15)18-16(19)6-7-17(20)21/h2-5,8-9H,6-7H2,1H3,(H,18,19)(H,20,21)

InChI Key

OZUTWDMYCDJOEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06064397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.477

Distribution Coefficient, logD

-0.473

Water Solubility, LogSw

-2.92

Polar Surface Area

66.619

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D047-0113 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Arginase Targeted Library (2009 compounds)

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Targets:
  • Others
  • Others
Structure:
  • Pool
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D047-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D047-0113?
Check Price and Availability of D047-0113, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D047-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D047-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D047-0113
  • 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 D047-0113 available by request