Y040-3732 Screening compound: 2-{[3-(3,5-difluorophenyl)-2-oxo-2H-chromen-7-yl]oxy}-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)acetamide

Y040-3732 Screening compound: 2-{[3-(3,5-difluorophenyl)-2-oxo-2H-chromen-7-yl]oxy}-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)acetamide
Y040-3732 Screening compound: 2-{[3-(3,5-difluorophenyl)-2-oxo-2H-chromen-7-yl]oxy}-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3732
2-{[3-(3,5-difluorophenyl)-2-oxo-2H-chromen-7-yl]oxy}-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)acetamide

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

Y040-3732

Molecular Formula

C21H17F2NO6S (C21 H17 F2 NO6 S)

Compound Name

2-{[3-(3,5-difluorophenyl)-2-oxo-2H-chromen-7-yl]oxy}-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)acetamide

IUPAC name

2-{[3-(35-difluorophenyl)-2-oxo-2H-chromen-7-yl]oxy}-N-(11-dioxo-1lambda6-thiolan-3-yl)acetamide

SMILES

O=C(COc(cc1)cc(O2)c1C=C(c1cc(F)cc(F)c1)C2=O)NC(CC1)CS1(=O)=O

InChI

InChI=1S/C21H17F2NO6S/c22-14-5-13(6-15(23)8-14)18-7-12-1-2-17(9-19(12)30-21(18)26)29-10-20(25)24-16-3-4-31(27,28)11-16/h1-2,5-9,16H,3-4,10-11H2,(H,24,25)/t16-/m1/s1

InChI Key

UGOHHTXCAVJHSN-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD09858811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.983

Distribution Coefficient, logD

1.983

Water Solubility, LogSw

-2.75

Polar Surface Area

80.750

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

Y040-3732 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-3732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3732?
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What is the minimum amount of Y040-3732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3732
  • 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 Y040-3732 available by request