Y040-4183 Screening compound: 2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl cyclohexanecarboxylate

Y040-4183 Screening compound: 2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl cyclohexanecarboxylate
Y040-4183 Screening compound: 2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl cyclohexanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4183
2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl cyclohexanecarboxylate

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

Y040-4183

Molecular Formula

C17H15F3O4 (C17 H15 F3 O4)

Compound Name

2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl cyclohexanecarboxylate

IUPAC name

2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl cyclohexanecarboxylate

SMILES

O=C(C1CCCCC1)Oc(cc1)cc(O2)c1C(C(F)(F)F)=CC2=O

InChI

InChI=1S/C17H15F3O4/c18-17(19,20)13-9-15(21)24-14-8-11(6-7-12(13)14)23-16(22)10-4-2-1-3-5-10/h6-10H,1-5H2

InChI Key

OBMXZFXPUWSWCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06669292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.898

Distribution Coefficient, logD

3.898

Water Solubility, LogSw

-4.10

Polar Surface Area

41.216

Acid Dissociation Constant (pKa)

21.38

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

Y040-4183 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-4183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4183?
Check Price and Availability of Y040-4183, 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 Y040-4183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4183
  • 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 Y040-4183 available by request