Y040-7623 Screening compound: 3,4-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-chromen-2-one

Y040-7623 Screening compound: 3,4-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-chromen-2-one
Y040-7623 Screening compound: 3,4-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7623
3,4-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-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

Y040-7623

Molecular Formula

C18H12F3NO5 (C18 H12 F3 NO5)

Compound Name

3,4-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-chromen-2-one

IUPAC name

34-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-chromen-2-one

SMILES

CC(c(ccc(Oc(ccc(C(F)(F)F)c1)c1[N+]([O-])=O)c1)c1O1)=C(C)C1=O

InChI

InChI=1S/C18H12F3NO5/c1-9-10(2)17(23)27-16-8-12(4-5-13(9)16)26-15-6-3-11(18(19,20)21)7-14(15)22(24)25/h3-8H,1-2H3

InChI Key

YODWRYZOLGINPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02921389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.391

Distribution Coefficient, logD

4.391

Water Solubility, LogSw

-4.56

Polar Surface Area

61.075

Acid Dissociation Constant (pKa)

31.31

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

Y040-7623 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 Y040-7623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7623?
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What is the minimum amount of Y040-7623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7623
  • 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 Y040-7623 available by request