Y041-1088 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

Y041-1088 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
Y041-1088 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1088
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-(trifluoromethyl)-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

Y041-1088

Molecular Formula

C18H11F3O5 (C18 H11 F3 O5)

Compound Name

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

3-(23-dihydro-14-benzodioxin-6-yl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

Oc(cc1)cc(OC(C(F)(F)F)=C2c(cc3)cc4c3OCCO4)c1C2=O

InChI

InChI=1S/C18H11F3O5/c19-18(20,21)17-15(9-1-4-12-14(7-9)25-6-5-24-12)16(23)11-3-2-10(22)8-13(11)26-17/h1-4,7-8,22H,5-6H2

InChI Key

WMEJTSIDRSRUHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00525495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.713

Distribution Coefficient, logD

2.134

Water Solubility, LogSw

-3.10

Polar Surface Area

53.718

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

Y041-1088 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-1088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1088?
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What is the minimum amount of Y041-1088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1088
  • 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 Y041-1088 available by request