6737-1374 Screening compound: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-4H-chromen-4-one

6737-1374 Screening compound: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-4H-chromen-4-one
6737-1374 Screening compound: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6737-1374
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-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

6737-1374

Molecular Formula

C27H23FO5 (C27 H23 FO5)

Compound Name

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-4H-chromen-4-one

IUPAC name

3-(34-dihydro-2H-15-benzodioxepin-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-4H-chromen-4-one

SMILES

CCc(cc(c(OC=C1c(cc2)cc3c2OCCCO3)c2)C1=O)c2OCc(cc1)ccc1F

InChI

InChI=1S/C27H23FO5/c1-2-18-12-21-25(14-24(18)32-15-17-4-7-20(28)8-5-17)33-16-22(27(21)29)19-6-9-23-26(13-19)31-11-3-10-30-23/h4-9,12-14,16H,2-3,10-11,15H2,1H3

InChI Key

NRKVLBUFRSZMLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04007108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.48

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

5.133

Distribution Coefficient, logD

5.133

Water Solubility, LogSw

-5.10

Polar Surface Area

44.328

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

6737-1374 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 6737-1374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6737-1374?
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What is the minimum amount of 6737-1374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6737-1374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6737-1374
  • 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 6737-1374 available by request