Y040-6997 Screening compound: 7-[(2-methoxy-5-nitrophenyl)methoxy]-8-methyl-4-propyl-2H-chromen-2-one

Y040-6997 Screening compound: 7-[(2-methoxy-5-nitrophenyl)methoxy]-8-methyl-4-propyl-2H-chromen-2-one
Y040-6997 Screening compound: 7-[(2-methoxy-5-nitrophenyl)methoxy]-8-methyl-4-propyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6997
7-[(2-methoxy-5-nitrophenyl)methoxy]-8-methyl-4-propyl-2H-chromen-2-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

Y040-6997

Molecular Formula

C21H21NO6 (C21 H21 NO6)

Compound Name

7-[(2-methoxy-5-nitrophenyl)methoxy]-8-methyl-4-propyl-2H-chromen-2-one

IUPAC name

7-[(2-methoxy-5-nitrophenyl)methoxy]-8-methyl-4-propyl-2H-chromen-2-one

SMILES

CCCC(c(ccc(OCc(cc(cc1)[N+]([O-])=O)c1OC)c1C)c1O1)=CC1=O

InChI

InChI=1S/C21H21NO6/c1-4-5-14-11-20(23)28-21-13(2)18(9-7-17(14)21)27-12-15-10-16(22(24)25)6-8-19(15)26-3/h6-11H,4-5,12H2,1-3H3

InChI Key

MEHGCSACRFGTGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03029744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.687

Distribution Coefficient, logD

4.687

Water Solubility, LogSw

-4.72

Polar Surface Area

68.656

Acid Dissociation Constant (pKa)

27.41

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

Y040-6997 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 Y040-6997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6997?
Check Price and Availability of Y040-6997, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y040-6997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6997
  • 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 Y040-6997 available by request