Y040-8075 Screening compound: 2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}pentanoate

Y040-8075 Screening compound: 2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}pentanoate
Y040-8075 Screening compound: 2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8075
2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}pentanoate

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

Y040-8075

Molecular Formula

C23H20F3NO6 (C23 H20 F3 NO6)

Compound Name

2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}pentanoate

IUPAC name

2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}pentanoate

SMILES

CCCC(C(Oc(cc1)cc(O2)c1C(C(F)(F)F)=CC2=O)=O)NC(OCc1ccccc1)=O

InChI

InChI=1S/C23H20F3NO6/c1-2-6-18(27-22(30)31-13-14-7-4-3-5-8-14)21(29)32-15-9-10-16-17(23(24,25)26)12-20(28)33-19(16)11-15/h3-5,7-12,18H,2,6,13H2,1H3,(H,27,30)/t18-/m0/s1

InChI Key

YDLHBFSYBALJRS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01563731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.758

Distribution Coefficient, logD

4.758

Water Solubility, LogSw

-4.87

Polar Surface Area

73.795

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

Y040-8075 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-8075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8075?
Check Price and Availability of Y040-8075, 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 Y040-8075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8075
  • 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 Y040-8075 available by request