Y041-1539 Screening compound: 6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-2-phenylacetate

Y041-1539 Screening compound: 6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-2-phenylacetate
Y041-1539 Screening compound: 6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1539
6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-2-phenylacetate

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

Y041-1539

Molecular Formula

C28H24ClNO6 (C28 H24 ClNO6)

Compound Name

6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-2-phenylacetate

IUPAC name

6-chloro-2-oxo-4-propyl-2H-chromen-7-yl (2R)-2-{[(benzyloxy)carbonyl]amino}-2-phenylacetate

SMILES

CCCC(c(c(O1)c2)cc(Cl)c2OC(C(c2ccccc2)NC(OCc2ccccc2)=O)=O)=CC1=O

InChI

InChI=1S/C28H24ClNO6/c1-2-9-20-14-25(31)35-23-16-24(22(29)15-21(20)23)36-27(32)26(19-12-7-4-8-13-19)30-28(33)34-17-18-10-5-3-6-11-18/h3-8,10-16,26H,2,9,17H2,1H3,(H,30,33)/t26-/m1/s1

InChI Key

BZAFORNKZIVYKT-AREMUKBSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.95

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

6.030

Distribution Coefficient, logD

6.029

Water Solubility, LogSw

-6.10

Polar Surface Area

73.332

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-6.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

Y041-1539 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y041-1539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1539?
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What is the minimum amount of Y041-1539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1539
  • 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 Y041-1539 available by request