8013-2214 Screening compound: 4-[(3,5-dichloropyridin-2-yl)oxy]phenyl 3,4-dimethoxybenzene-1-sulfonate

8013-2214 Screening compound: 4-[(3,5-dichloropyridin-2-yl)oxy]phenyl 3,4-dimethoxybenzene-1-sulfonate
8013-2214 Screening compound: 4-[(3,5-dichloropyridin-2-yl)oxy]phenyl 3,4-dimethoxybenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2214
4-[(3,5-dichloropyridin-2-yl)oxy]phenyl 3,4-dimethoxybenzene-1-sulfonate

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

8013-2214

Molecular Formula

C19H15Cl2NO6S (C19 H15 Cl2 NO6 S)

Compound Name

4-[(3,5-dichloropyridin-2-yl)oxy]phenyl 3,4-dimethoxybenzene-1-sulfonate

IUPAC name

4-[(35-dichloropyridin-2-yl)oxy]phenyl 34-dimethoxybenzene-1-sulfonate

SMILES

COc(ccc(S(Oc(cc1)ccc1Oc(ncc(Cl)c1)c1Cl)(=O)=O)c1)c1OC

InChI

InChI=1S/C19H15Cl2NO6S/c1-25-17-8-7-15(10-18(17)26-2)29(23,24)28-14-5-3-13(4-6-14)27-19-16(21)9-12(20)11-22-19/h3-11H,1-2H3

InChI Key

BPLUUGJNDSVIIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.471

Distribution Coefficient, logD

4.471

Water Solubility, LogSw

-4.67

Polar Surface Area

67.904

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

8013-2214 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-2214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2214?
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What is the minimum amount of 8013-2214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2214
  • 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 8013-2214 available by request