Y040-8077 Screening compound: 2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate

Y040-8077 Screening compound: 2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate
Y040-8077 Screening compound: 2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8077
2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate

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

Y040-8077

Molecular Formula

C24H22F3NO6 (C24 H22 F3 NO6)

Compound Name

2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate

IUPAC name

2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate

SMILES

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

InChI

InChI=1S/C24H22F3NO6/c25-24(26,27)19-14-22(30)34-20-13-17(10-11-18(19)20)33-21(29)9-5-2-6-12-28-23(31)32-15-16-7-3-1-4-8-16/h1,3-4,7-8,10-11,13-14H,2,5-6,9,12,15H2,(H,28,31)

InChI Key

MJSMXUHZZJRQNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01563154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.232

Distribution Coefficient, logD

4.232

Water Solubility, LogSw

-4.55

Polar Surface Area

73.412

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with Y040-8077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8077?
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What is the minimum amount of Y040-8077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8077
  • 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 Y040-8077 available by request