Y041-3674 Screening compound: 1-benzyl 4-(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl) piperidine-1,4-dicarboxylate

Y041-3674 Screening compound: 1-benzyl 4-(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl) piperidine-1,4-dicarboxylate
Y041-3674 Screening compound: 1-benzyl 4-(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl) piperidine-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3674
1-benzyl 4-(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl) piperidine-1,4-dicarboxylate

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

Y041-3674

Molecular Formula

C26H27NO6 (C26 H27 NO6)

Compound Name

1-benzyl 4-(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl) piperidine-1,4-dicarboxylate

IUPAC name

1-benzyl 4-(347-trimethyl-2-oxo-2H-chromen-5-yl) piperidine-14-dicarboxylate

SMILES

Cc1cc(OC(C(C)=C2C)=O)c2c(OC(C(CC2)CCN2C(OCc2ccccc2)=O)=O)c1

InChI

InChI=1S/C26H27NO6/c1-16-13-21-23(17(2)18(3)24(28)32-21)22(14-16)33-25(29)20-9-11-27(12-10-20)26(30)31-15-19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3

InChI Key

KOGUCOVWPCZPDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13969058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.099

Distribution Coefficient, logD

5.099

Water Solubility, LogSw

-5.16

Polar Surface Area

64.701

Acid Dissociation Constant (pKa)

21.66

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

Y041-3674 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-3674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3674?
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What is the minimum amount of Y041-3674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3674
  • 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 Y041-3674 available by request