Y040-6951 Screening compound: 4-methyl-3-{[3-(trifluoromethyl)phenyl]methoxy}-6H-benzo[c]chromen-6-one

Y040-6951 Screening compound: 4-methyl-3-{[3-(trifluoromethyl)phenyl]methoxy}-6H-benzo[c]chromen-6-one
Y040-6951 Screening compound: 4-methyl-3-{[3-(trifluoromethyl)phenyl]methoxy}-6H-benzo[c]chromen-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6951
4-methyl-3-{[3-(trifluoromethyl)phenyl]methoxy}-6H-benzo[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

Y040-6951

Molecular Formula

C22H15F3O3 (C22 H15 F3 O3)

Compound Name

4-methyl-3-{[3-(trifluoromethyl)phenyl]methoxy}-6H-benzo[c]chromen-6-one

IUPAC name

4-methyl-3-{[3-(trifluoromethyl)phenyl]methoxy}-6H-benzo[c]chromen-6-one

SMILES

Cc(c(O1)c(cc2)-c(cccc3)c3C1=O)c2OCc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C22H15F3O3/c1-13-19(27-12-14-5-4-6-15(11-14)22(23,24)25)10-9-17-16-7-2-3-8-18(16)21(26)28-20(13)17/h2-11H,12H2,1H3

InChI Key

HEDZTHQAYJVYID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.496

Distribution Coefficient, logD

5.496

Water Solubility, LogSw

-6.02

Polar Surface Area

27.887

Acid Dissociation Constant (pKa)

28.92

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

Y040-6951 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y040-6951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6951?
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What is the minimum amount of Y040-6951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6951
  • 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 Y040-6951 available by request