Y501-1066 Screening compound: N'-{(E)-1-[4-(diethylamino)phenyl]methylidene}-2-({4-ethyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide

Y501-1066 Screening compound: N'-{(E)-1-[4-(diethylamino)phenyl]methylidene}-2-({4-ethyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide
Y501-1066 Screening compound: N'-{(E)-1-[4-(diethylamino)phenyl]methylidene}-2-({4-ethyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-1066
N'-{(E)-1-[4-(diethylamino)phenyl]methylidene}-2-({4-ethyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)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

Y501-1066

Molecular Formula

C24H30IN7OS (C24 H30 IN7 OS)

Compound Name

N'-{(E)-1-[4-(diethylamino)phenyl]methylidene}-2-({4-ethyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide

IUPAC name

N'-[(E)-[4-(diethylamino)phenyl]methylidene]-2-[(4-ethyl-5-{[(4-iodophenyl)amino]methyl}-4H-124-triazol-3-yl)sulfanyl]acetohydrazide

SMILES

CCN(CC)c1ccc(/C=N/NC(CSc2nnc(CNc(cc3)ccc3I)n2CC)=O)cc1

InChI

InChI=1S/C24H30IN7OS/c1-4-31(5-2)21-13-7-18(8-14-21)15-27-29-23(33)17-34-24-30-28-22(32(24)6-3)16-26-20-11-9-19(25)10-12-20/h7-15,26H,4-6,16-17H2,1-3H3,(H,29,33)

InChI Key

JPSJXKDWPJUJIZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

591.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.093

Distribution Coefficient, logD

5.090

Water Solubility, LogSw

-4.85

Polar Surface Area

73.558

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with Y501-1066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-1066?
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What is the minimum amount of Y501-1066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-1066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-1066
  • 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 Y501-1066 available by request