Y040-6905 Screening compound: N-{4',6',7',8',9',10'-hexahydro-3'H-1',11'-dioxaspiro[cyclohexane-1,2'-tetraphen]-10'-ylidene}hydroxylamine

Y040-6905 Screening compound: N-{4',6',7',8',9',10'-hexahydro-3'H-1',11'-dioxaspiro[cyclohexane-1,2'-tetraphen]-10'-ylidene}hydroxylamine
Y040-6905 Screening compound: N-{4',6',7',8',9',10'-hexahydro-3'H-1',11'-dioxaspiro[cyclohexane-1,2'-tetraphen]-10'-ylidene}hydroxylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6905
N-{4',6',7',8',9',10'-hexahydro-3'H-1',11'-dioxaspiro[cyclohexane-1,2'-tetraphen]-10'-ylidene}hydroxylamine

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

Y040-6905

Molecular Formula

C21H25NO3 (C21 H25 NO3)

Compound Name

N-{4',6',7',8',9',10'-hexahydro-3'H-1',11'-dioxaspiro[cyclohexane-1,2'-tetraphen]-10'-ylidene}hydroxylamine

IUPAC name

N-{4'6'7'8'9'10'-hexahydro-3'H-1'11'-dioxaspiro[cyclohexane-12'-tetraphen]-10'-ylidene}hydroxylamine

SMILES

O/N=C1/Oc(cc2OC3(CCCCC3)CCc2c2)c2C2=C1CCCC2

InChI

InChI=1S/C21H25NO3/c23-22-20-16-7-3-2-6-15(16)17-12-14-8-11-21(9-4-1-5-10-21)25-18(14)13-19(17)24-20/h12-13,23H,1-11H2

InChI Key

MTPNKJNLYOJGGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09845298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.117

Distribution Coefficient, logD

5.117

Water Solubility, LogSw

-5.14

Polar Surface Area

43.337

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

Y040-6905 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-6905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6905?
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What is the minimum amount of Y040-6905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6905
  • 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 Y040-6905 available by request