Y040-6993 Screening compound: 7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-propyl-2H-chromen-2-one

Y040-6993 Screening compound: 7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-propyl-2H-chromen-2-one
Y040-6993 Screening compound: 7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-propyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6993
7-[2-nitro-4-(trifluoromethyl)phenoxy]-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

Y040-6993

Molecular Formula

C19H14F3NO5 (C19 H14 F3 NO5)

Compound Name

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

IUPAC name

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

SMILES

CCCC(c(ccc(Oc(ccc(C(F)(F)F)c1)c1[N+]([O-])=O)c1)c1O1)=CC1=O

InChI

InChI=1S/C19H14F3NO5/c1-2-3-11-8-18(24)28-17-10-13(5-6-14(11)17)27-16-7-4-12(19(20,21)22)9-15(16)23(25)26/h4-10H,2-3H2,1H3

InChI Key

IICXTNDJFBIDDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02080316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.788

Distribution Coefficient, logD

4.788

Water Solubility, LogSw

-4.67

Polar Surface Area

60.561

Acid Dissociation Constant (pKa)

27.41

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

Y040-6993 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 Y040-6993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6993?
Check Price and Availability of Y040-6993, 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 Y040-6993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6993
  • 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 Y040-6993 available by request