8013-2217 Screening compound: 4-[(3,5-dichloro-2-pyridyl)oxy]phenyl 2-furoate

8013-2217 Screening compound: 4-[(3,5-dichloro-2-pyridyl)oxy]phenyl 2-furoate
8013-2217 Screening compound: 4-[(3,5-dichloro-2-pyridyl)oxy]phenyl 2-furoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2217
4-[(3,5-dichloro-2-pyridyl)oxy]phenyl 2-furoate

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

8013-2217

Molecular Formula

C16H9Cl2NO4 (C16 H9 Cl2 NO4)

Compound Name

4-[(3,5-dichloro-2-pyridyl)oxy]phenyl 2-furoate

IUPAC name

4-[(35-dichloropyridin-2-yl)oxy]phenyl furan-2-carboxylate

SMILES

O=C(c1ccco1)Oc(cc1)ccc1Oc(ncc(Cl)c1)c1Cl

InChI

InChI=1S/C16H9Cl2NO4/c17-10-8-13(18)15(19-9-10)22-11-3-5-12(6-4-11)23-16(20)14-2-1-7-21-14/h1-9H

InChI Key

NHVPTMCDYIKSJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.305

Distribution Coefficient, logD

4.305

Water Solubility, LogSw

-4.57

Polar Surface Area

45.837

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8013-2217 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-2217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2217?
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What is the minimum amount of 8013-2217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2217
  • 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 8013-2217 available by request