5132-0331 Screening compound: N~1~-(3-bromophenyl)-2-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yloxy)acetamide

5132-0331 Screening compound: N~1~-(3-bromophenyl)-2-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yloxy)acetamide
5132-0331 Screening compound: N~1~-(3-bromophenyl)-2-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yloxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5132-0331
N~1~-(3-bromophenyl)-2-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yloxy)acetamide

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

5132-0331

Molecular Formula

C20H18BrNO3 (C20 H18 BrNO3)

Compound Name

N~1~-(3-bromophenyl)-2-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yloxy)acetamide

IUPAC name

N-(3-bromophenyl)-2-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-4-yloxy}acetamide

SMILES

O=C(COc(cc1)cc2c1oc1c2CCCC1)Nc1cccc(Br)c1

InChI

InChI=1S/C20H18BrNO3/c21-13-4-3-5-14(10-13)22-20(23)12-24-15-8-9-19-17(11-15)16-6-1-2-7-18(16)25-19/h3-5,8-11H,1-2,6-7,12H2,(H,22,23)

InChI Key

NIGUVQJBUGVDHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03066378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.214

Distribution Coefficient, logD

5.214

Water Solubility, LogSw

-5.48

Polar Surface Area

38.731

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5132-0331 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5132-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5132-0331?
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What is the minimum amount of 5132-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5132-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5132-0331
  • 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 5132-0331 available by request