Y500-8352 Screening compound: 2-amino-4-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-yl cyanide

Y500-8352 Screening compound: 2-amino-4-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-yl cyanide
Y500-8352 Screening compound: 2-amino-4-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-8352
2-amino-4-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-yl cyanide

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

Y500-8352

Molecular Formula

C26H25BrClN3O2 (C26 H25 BrClN3 O2)

Compound Name

2-amino-4-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-3-yl cyanide

IUPAC name

2-amino-4-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-5H6H7H8H9H10H-cycloocta[b]pyridine-3-carbonitrile

SMILES

COc(cc1)c(COc(ccc(Cl)c2)c2Br)cc1-c(c(CCCCCC1)c1nc1N)c1C#N

InChI

InChI=1S/C26H25BrClN3O2/c1-32-23-10-8-16(12-17(23)15-33-24-11-9-18(28)13-21(24)27)25-19-6-4-2-3-5-7-22(19)31-26(30)20(25)14-29/h8-13H,2-7,15H2,1H3,(H2,30,31)

InChI Key

VGEDUHJTOUUPKT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.934

Distribution Coefficient, logD

6.933

Water Solubility, LogSw

-6.62

Polar Surface Area

63.033

Acid Dissociation Constant (pKa)

18.94

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

References: we are preparing a list of scientific research reports with Y500-8352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-8352?
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What is the minimum amount of Y500-8352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-8352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-8352
  • 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 Y500-8352 available by request