3391-6700 Screening compound: 4-[(4-methylphenyl)amino]-6-[(3-nitrophenyl)amino]-1,3,5-triazin-2-yl piperidine-1-carbodithioate

3391-6700 Screening compound: 4-[(4-methylphenyl)amino]-6-[(3-nitrophenyl)amino]-1,3,5-triazin-2-yl piperidine-1-carbodithioate
3391-6700 Screening compound: 4-[(4-methylphenyl)amino]-6-[(3-nitrophenyl)amino]-1,3,5-triazin-2-yl piperidine-1-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3391-6700
4-[(4-methylphenyl)amino]-6-[(3-nitrophenyl)amino]-1,3,5-triazin-2-yl piperidine-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

3391-6700

Molecular Formula

C22H23N7O2S2 (C22 H23 N7 O2 S2)

Compound Name

4-[(4-methylphenyl)amino]-6-[(3-nitrophenyl)amino]-1,3,5-triazin-2-yl piperidine-1-carbodithioate

IUPAC name

4-[(4-methylphenyl)amino]-6-[(3-nitrophenyl)amino]-135-triazin-2-yl piperidine-1-carbodithioate

SMILES

Cc(cc1)ccc1Nc1nc(SC(N2CCCCC2)=S)nc(Nc2cc([N+]([O-])=O)ccc2)n1

InChI

InChI=1S/C22H23N7O2S2/c1-15-8-10-16(11-9-15)23-19-25-20(24-17-6-5-7-18(14-17)29(30)31)27-21(26-19)33-22(32)28-12-3-2-4-13-28/h5-11,14H,2-4,12-13H2,1H3,(H2,23,24,25,26,27)

InChI Key

ZKNJZICFHJUUAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01950409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.461

Distribution Coefficient, logD

7.461

Water Solubility, LogSw

-5.67

Polar Surface Area

85.122

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 3391-6700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3391-6700?
Check Price and Availability of 3391-6700, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3391-6700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3391-6700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3391-6700
  • 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 3391-6700 available by request