Y041-2459 Screening compound: 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate

Y041-2459 Screening compound: 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate
Y041-2459 Screening compound: 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2459
3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate

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

Y041-2459

Molecular Formula

C23H22ClNO6 (C23 H22 ClNO6)

Compound Name

3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate

IUPAC name

3-chloro-4-methyl-2-oxo-2H-chromen-7-yl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate

SMILES

CC(C)C(C(Oc(cc1)cc(OC2=O)c1C(C)=C2Cl)=O)NC(OCc1ccccc1)=O

InChI

InChI=1S/C23H22ClNO6/c1-13(2)20(25-23(28)29-12-15-7-5-4-6-8-15)22(27)30-16-9-10-17-14(3)19(24)21(26)31-18(17)11-16/h4-11,13,20H,12H2,1-3H3,(H,25,28)/t20-/m0/s1

InChI Key

LLJRITVCYCZUAD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02669416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.091

Distribution Coefficient, logD

5.091

Water Solubility, LogSw

-5.26

Polar Surface Area

74.031

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

Y041-2459 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with Y041-2459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2459?
Check Price and Availability of Y041-2459, 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 Y041-2459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2459
  • 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 Y041-2459 available by request