Y041-1561 Screening compound: 4-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl 2-{[(benzyloxy)carbonyl]amino}butanoate

Y041-1561 Screening compound: 4-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl 2-{[(benzyloxy)carbonyl]amino}butanoate
Y041-1561 Screening compound: 4-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl 2-{[(benzyloxy)carbonyl]amino}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1561
4-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl 2-{[(benzyloxy)carbonyl]amino}butanoate

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

Y041-1561

Molecular Formula

C26H27NO6 (C26 H27 NO6)

Compound Name

4-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl 2-{[(benzyloxy)carbonyl]amino}butanoate

IUPAC name

4-methyl-6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl 2-{[(benzyloxy)carbonyl]amino}butanoate

SMILES

CCC(C(Oc(cc1)c(C)c(O2)c1C(CCCC1)=C1C2=O)=O)NC(OCc1ccccc1)=O

InChI

InChI=1S/C26H27NO6/c1-3-21(27-26(30)31-15-17-9-5-4-6-10-17)25(29)32-22-14-13-19-18-11-7-8-12-20(18)24(28)33-23(19)16(22)2/h4-6,9-10,13-14,21H,3,7-8,11-12,15H2,1-2H3,(H,27,30)/t21-/m0/s1

InChI Key

RXLHARUYJJDEBR-NRFANRHFSA-N

MDL Number (MFCD)

MFCD04026614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.5

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

5.636

Distribution Coefficient, logD

5.636

Water Solubility, LogSw

-5.44

Polar Surface Area

74.001

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with Y041-1561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1561?
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What is the minimum amount of Y041-1561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1561
  • 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 Y041-1561 available by request