Y040-7847 Screening compound: 3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

Y040-7847 Screening compound: 3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one
Y040-7847 Screening compound: 3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7847
3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-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

Y040-7847

Molecular Formula

C20H13F3N2O7 (C20 H13 F3 N2 O7)

Compound Name

3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

IUPAC name

3-[26-dinitro-4-(trifluoromethyl)phenoxy]-6H7H8H9H10H-cyclohexa[c]chromen-6-one

SMILES

[O-][N+](c1cc(C(F)(F)F)cc([N+]([O-])=O)c1Oc(cc1)cc(O2)c1C(CCCC1)=C1C2=O)=O

InChI

InChI=1S/C20H13F3N2O7/c21-20(22,23)10-7-15(24(27)28)18(16(8-10)25(29)30)31-11-5-6-13-12-3-1-2-4-14(12)19(26)32-17(13)9-11/h5-9H,1-4H2

InChI Key

BLHVSLNMKSONKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01540191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.33

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.813

Distribution Coefficient, logD

4.813

Water Solubility, LogSw

-4.90

Polar Surface Area

94.163

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y040-7847 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-7847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7847?
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What is the minimum amount of Y040-7847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7847
  • 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 Y040-7847 available by request