Y040-7778 Screening compound: 6-methyl-7-[4-nitro-2-(trifluoromethyl)phenoxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

Y040-7778 Screening compound: 6-methyl-7-[4-nitro-2-(trifluoromethyl)phenoxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one
Y040-7778 Screening compound: 6-methyl-7-[4-nitro-2-(trifluoromethyl)phenoxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7778
6-methyl-7-[4-nitro-2-(trifluoromethyl)phenoxy]-1H,2H,3H,4H-cyclopenta[c]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

Y040-7778

Molecular Formula

C20H14F3NO5 (C20 H14 F3 NO5)

Compound Name

6-methyl-7-[4-nitro-2-(trifluoromethyl)phenoxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

IUPAC name

6-methyl-7-[4-nitro-2-(trifluoromethyl)phenoxy]-1H2H3H4H-cyclopenta[c]chromen-4-one

SMILES

Cc(c(O1)c(cc2)C(CCC3)=C3C1=O)c2Oc(cc1)c(C(F)(F)F)cc1[N+]([O-])=O

InChI

InChI=1S/C20H14F3NO5/c1-10-16(8-6-13-12-3-2-4-14(12)19(25)29-18(10)13)28-17-7-5-11(24(26)27)9-15(17)20(21,22)23/h5-9H,2-4H2,1H3

InChI Key

ZVAWHJFYVQXSKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03707200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.33

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

5.091

Distribution Coefficient, logD

5.091

Water Solubility, LogSw

-5.00

Polar Surface Area

61.433

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y040-7778 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 Y040-7778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7778?
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What is the minimum amount of Y040-7778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7778
  • 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 Y040-7778 available by request