1674-0040 Screening compound: 2-{4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenoxy}acetonitrile

1674-0040 Screening compound: 2-{4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenoxy}acetonitrile
1674-0040 Screening compound: 2-{4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenoxy}acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1674-0040
2-{4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-methoxyphenoxy}acetonitrile

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

1674-0040

Molecular Formula

C23H30N8O2 (C23 H30 N8 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)cc1)c1OCC#N

InChI

InChI=1S/C23H30N8O2/c1-32-20-16-18(8-9-19(20)33-15-10-24)17-25-29-21-26-22(30-11-4-2-5-12-30)28-23(27-21)31-13-6-3-7-14-31/h8-9,16-17H,2-7,11-15H2,1H3,(H,26,27,28,29)

InChI Key

DVZIGJICQAXQDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01038252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.966

Distribution Coefficient, logD

4.873

Water Solubility, LogSw

-4.68

Polar Surface Area

89.761

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

1674-0040 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1674-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1674-0040?
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What is the minimum amount of 1674-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1674-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1674-0040
  • 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 1674-0040 available by request