1538-0198 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenyl furan-2-carboxylate

1538-0198 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenyl furan-2-carboxylate
1538-0198 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1538-0198
4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenyl furan-2-carboxylate

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

1538-0198

Molecular Formula

C27H33N7O4 (C27 H33 N7 O4)

Compound Name

4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenyl furan-2-carboxylate

IUPAC name

4-[(E)-{2-[46-bis(piperidin-1-yl)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenyl furan-2-carboxylate

SMILES

CCOc(cc(/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)cc1)c1OC(c1ccco1)=O

InChI

InChI=1S/C27H33N7O4/c1-2-36-23-18-20(11-12-21(23)38-24(35)22-10-9-17-37-22)19-28-32-25-29-26(33-13-5-3-6-14-33)31-27(30-25)34-15-7-4-8-16-34/h9-12,17-19H,2-8,13-16H2,1H3,(H,29,30,31,32)

InChI Key

KZEFMEMMVOXWHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01012991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.236

Distribution Coefficient, logD

6.143

Water Solubility, LogSw

-5.44

Polar Surface Area

93.388

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

1538-0198 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1538-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1538-0198?
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What is the minimum amount of 1538-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1538-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1538-0198
  • 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 1538-0198 available by request