6809-0057 Screening compound: {4-amino-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl 4-benzylpiperidine-1-carbodithioate

6809-0057 Screening compound: {4-amino-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl 4-benzylpiperidine-1-carbodithioate
6809-0057 Screening compound: {4-amino-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl 4-benzylpiperidine-1-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6809-0057
{4-amino-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl 4-benzylpiperidine-1-carbodithioate

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

6809-0057

Molecular Formula

C24H28N6OS2 (C24 H28 N6 OS2)

Compound Name

{4-amino-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl 4-benzylpiperidine-1-carbodithioate

IUPAC name

{4-amino-6-[(2-methoxyphenyl)amino]-135-triazin-2-yl}methyl 4-benzylpiperidine-1-carbodithioate

SMILES

COc(cccc1)c1Nc1nc(N)nc(CSC(N2CCC(Cc3ccccc3)CC2)=S)n1

InChI

InChI=1S/C24H28N6OS2/c1-31-20-10-6-5-9-19(20)26-23-28-21(27-22(25)29-23)16-33-24(32)30-13-11-18(12-14-30)15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H3,25,26,27,28,29)

InChI Key

MUBSWGQDQJUWJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04176431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.882

Distribution Coefficient, logD

5.865

Water Solubility, LogSw

-5.71

Polar Surface Area

71.089

Acid Dissociation Constant (pKa)

16.20

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 6809-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6809-0057?
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What is the minimum amount of 6809-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6809-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6809-0057
  • 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 6809-0057 available by request