Y041-1553 Screening compound: 3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate

Y041-1553 Screening compound: 3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate
Y041-1553 Screening compound: 3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1553
3-benzyl-4,8-dimethyl-2-oxo-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

Y041-1553

Molecular Formula

C32H33NO6 (C32 H33 NO6)

Compound Name

3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate

IUPAC name

3-benzyl-48-dimethyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate

SMILES

Cc(c(O1)c(cc2)C(C)=C(Cc3ccccc3)C1=O)c2OC(CCCCCNC(OCc1ccccc1)=O)=O

InChI

InChI=1S/C32H33NO6/c1-22-26-17-18-28(23(2)30(26)39-31(35)27(22)20-24-12-6-3-7-13-24)38-29(34)16-10-5-11-19-33-32(36)37-21-25-14-8-4-9-15-25/h3-4,6-9,12-15,17-18H,5,10-11,16,19-21H2,1-2H3,(H,33,36)

InChI Key

UJYJDLYHKQOOJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03850626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.373

Distribution Coefficient, logD

6.373

Water Solubility, LogSw

-5.55

Polar Surface Area

73.425

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

Y041-1553 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with Y041-1553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1553?
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What is the minimum amount of Y041-1553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1553
  • 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 Y041-1553 available by request