Y041-1359 Screening compound: 4-tert-butyl-4'-hydroxy-12'-methyl-4',6',7',8',9',10'-hexahydro-3'H-1',11'-dioxaspiro[cyclohexane-1,2'-tetraphen]-10'-one

Y041-1359 Screening compound: 4-tert-butyl-4'-hydroxy-12'-methyl-4',6',7',8',9',10'-hexahydro-3'H-1',11'-dioxaspiro[cyclohexane-1,2'-tetraphen]-10'-one
Y041-1359 Screening compound: 4-tert-butyl-4'-hydroxy-12'-methyl-4',6',7',8',9',10'-hexahydro-3'H-1',11'-dioxaspiro[cyclohexane-1,2'-tetraphen]-10'-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1359
4-tert-butyl-4'-hydroxy-12'-methyl-4',6',7',8',9',10'-hexahydro-3'H-1',11'-dioxaspiro[cyclohexane-1,2'-tetraphen]-10'-one

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

Y041-1359

Molecular Formula

C26H34O4 (C26 H34 O4)

Compound Name

4-tert-butyl-4'-hydroxy-12'-methyl-4',6',7',8',9',10'-hexahydro-3'H-1',11'-dioxaspiro[cyclohexane-1,2'-tetraphen]-10'-one

IUPAC name

4-tert-butyl-4'-hydroxy-12'-methyl-4'6'7'8'9'10'-hexahydro-3'H-1'11'-dioxaspiro[cyclohexane-12'-tetraphen]-10'-one

SMILES

CC(C)(C)C(CC1)CCC1(CC(c1c2)O)Oc1c(C)c(O1)c2C(CCCC2)=C2C1=O

InChI

InChI=1S/C26H34O4/c1-15-22-19(17-7-5-6-8-18(17)24(28)29-22)13-20-21(27)14-26(30-23(15)20)11-9-16(10-12-26)25(2,3)4/h13,16,21,27H,5-12,14H2,1-4H3/t16?,21-,26?/m0/s1

InChI Key

MLWZAIKAVMTMAQ-JAHBGFQISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.272

Distribution Coefficient, logD

6.272

Water Solubility, LogSw

-5.29

Polar Surface Area

41.801

Acid Dissociation Constant (pKa)

14.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.40

Y041-1359 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-1359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1359?
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What is the minimum amount of Y041-1359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1359
  • 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 Y041-1359 available by request