6737-1718 Screening compound: 7-[(6-chloro-2,4-dihydro-1,3-benzodioxin-8-yl)methoxy]-3-(2-methoxyphenyl)-4H-chromen-4-one

6737-1718 Screening compound: 7-[(6-chloro-2,4-dihydro-1,3-benzodioxin-8-yl)methoxy]-3-(2-methoxyphenyl)-4H-chromen-4-one
6737-1718 Screening compound: 7-[(6-chloro-2,4-dihydro-1,3-benzodioxin-8-yl)methoxy]-3-(2-methoxyphenyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6737-1718
7-[(6-chloro-2,4-dihydro-1,3-benzodioxin-8-yl)methoxy]-3-(2-methoxyphenyl)-4H-chromen-4-one

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

6737-1718

Molecular Formula

C25H19ClO6 (C25 H19 ClO6)

Compound Name

7-[(6-chloro-2,4-dihydro-1,3-benzodioxin-8-yl)methoxy]-3-(2-methoxyphenyl)-4H-chromen-4-one

IUPAC name

7-[(6-chloro-24-dihydro-13-benzodioxin-8-yl)methoxy]-3-(2-methoxyphenyl)-4H-chromen-4-one

SMILES

COc(cccc1)c1C1=COc(cc(cc2)OCc3cc(Cl)cc4c3OCOC4)c2C1=O

InChI

InChI=1S/C25H19ClO6/c1-28-22-5-3-2-4-19(22)21-13-31-23-10-18(6-7-20(23)24(21)27)30-12-16-9-17(26)8-15-11-29-14-32-25(15)16/h2-10,13H,11-12,14H2,1H3

InChI Key

QFMKJEQJBNQUMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03851760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.516

Distribution Coefficient, logD

4.516

Water Solubility, LogSw

-4.74

Polar Surface Area

52.607

Acid Dissociation Constant (pKa)

25.39

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

6737-1718 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 6737-1718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6737-1718?
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What is the minimum amount of 6737-1718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6737-1718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6737-1718
  • 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 6737-1718 available by request