8013-2274 Screening compound: 4-[(3,5-dichloropyridin-2-yl)oxy]phenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate

8013-2274 Screening compound: 4-[(3,5-dichloropyridin-2-yl)oxy]phenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate
8013-2274 Screening compound: 4-[(3,5-dichloropyridin-2-yl)oxy]phenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2274
4-[(3,5-dichloropyridin-2-yl)oxy]phenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate

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

8013-2274

Molecular Formula

C22H13Cl2NO6 (C22 H13 Cl2 NO6)

Compound Name

4-[(3,5-dichloropyridin-2-yl)oxy]phenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate

IUPAC name

4-[(35-dichloropyridin-2-yl)oxy]phenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate

SMILES

COc1cccc(C=C2C(Oc(cc3)ccc3Oc(ncc(Cl)c3)c3Cl)=O)c1OC2=O

InChI

InChI=1S/C22H13Cl2NO6/c1-28-18-4-2-3-12-9-16(22(27)31-19(12)18)21(26)30-15-7-5-14(6-8-15)29-20-17(24)10-13(23)11-25-20/h2-11H,1H3

InChI Key

VKXINOJAQZSAPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.25

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.962

Distribution Coefficient, logD

4.962

Water Solubility, LogSw

-5.20

Polar Surface Area

65.495

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

8013-2274 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-2274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2274?
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What is the minimum amount of 8013-2274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2274
  • 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 8013-2274 available by request