Y041-2461 Screening compound: 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}pentanoate

Y041-2461 Screening compound: 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}pentanoate
Y041-2461 Screening compound: 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2461
3-chloro-4-methyl-2-oxo-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

Y041-2461

Molecular Formula

C23H22ClNO6 (C23 H22 ClNO6)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H22ClNO6/c1-3-7-18(25-23(28)29-13-15-8-5-4-6-9-15)21(26)30-16-10-11-17-14(2)20(24)22(27)31-19(17)12-16/h4-6,8-12,18H,3,7,13H2,1-2H3,(H,25,28)/t18-/m0/s1

InChI Key

CZGONEIOUGLNMD-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01554721

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

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.098

Distribution Coefficient, logD

5.098

Water Solubility, LogSw

-5.34

Polar Surface Area

74.310

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with Y041-2461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2461?
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What is the minimum amount of Y041-2461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2461
  • 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 Y041-2461 available by request