Y501-0637 Screening compound: 2-(1-adamantyl)-N'-((E)-1-{3-[(4-iodophenoxy)methyl]-4-methoxyphenyl}methylidene)acetohydrazide

Y501-0637 Screening compound: 2-(1-adamantyl)-N'-((E)-1-{3-[(4-iodophenoxy)methyl]-4-methoxyphenyl}methylidene)acetohydrazide
Y501-0637 Screening compound: 2-(1-adamantyl)-N'-((E)-1-{3-[(4-iodophenoxy)methyl]-4-methoxyphenyl}methylidene)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-0637
2-(1-adamantyl)-N'-((E)-1-{3-[(4-iodophenoxy)methyl]-4-methoxyphenyl}methylidene)acetohydrazide

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

Y501-0637

Molecular Formula

C27H31IN2O3 (C27 H31 IN2 O3)

Compound Name

2-(1-adamantyl)-N'-((E)-1-{3-[(4-iodophenoxy)methyl]-4-methoxyphenyl}methylidene)acetohydrazide

IUPAC name

2-(adamantan-1-yl)-N'-[(E)-{3-[(4-iodophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide

SMILES

COc1c(COc(cc2)ccc2I)cc(/C=N/NC(CC2(CC(C3)C4)CC4CC3C2)=O)cc1

InChI

InChI=1S/C27H31IN2O3/c1-32-25-7-2-18(11-22(25)17-33-24-5-3-23(28)4-6-24)16-29-30-26(31)15-27-12-19-8-20(13-27)10-21(9-19)14-27/h2-7,11,16,19-21H,8-10,12-15,17H2,1H3,(H,30,31)

InChI Key

FSJPWVVOJHEFFG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.184

Distribution Coefficient, logD

7.184

Water Solubility, LogSw

-5.71

Polar Surface Area

50.232

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.15

Y501-0637 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y501-0637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-0637?
Check Price and Availability of Y501-0637, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y501-0637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-0637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-0637
  • 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 Y501-0637 available by request