0806-0317 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 2,4-dichlorobenzoate

0806-0317 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 2,4-dichlorobenzoate
0806-0317 Screening compound: 4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 2,4-dichlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0806-0317
4-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 2,4-dichlorobenzoate

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

0806-0317

Molecular Formula

C27H29Cl2N7O2 (C27 H29 Cl2 N7 O2)

Compound Name

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

IUPAC name

4-[(E)-{2-[46-bis(piperidin-1-yl)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]phenyl 24-dichlorobenzoate

SMILES

O=C(c(ccc(Cl)c1)c1Cl)Oc1ccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1

InChI

InChI=1S/C27H29Cl2N7O2/c28-20-9-12-22(23(29)17-20)24(37)38-21-10-7-19(8-11-21)18-30-34-25-31-26(35-13-3-1-4-14-35)33-27(32-25)36-15-5-2-6-16-36/h7-12,17-18H,1-6,13-16H2,(H,31,32,33,34)

InChI Key

SXUUUCQMLXGJNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00291360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

8.293

Distribution Coefficient, logD

8.269

Water Solubility, LogSw

-6.91

Polar Surface Area

77.513

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with 0806-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0806-0317?
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What is the minimum amount of 0806-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0806-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0806-0317
  • 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 0806-0317 available by request