6359-0082 Screening compound: N-(4-amino-6-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3,5-triazin-2-yl)-N-(3-methylphenyl)amine

6359-0082 Screening compound: N-(4-amino-6-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3,5-triazin-2-yl)-N-(3-methylphenyl)amine
6359-0082 Screening compound: N-(4-amino-6-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3,5-triazin-2-yl)-N-(3-methylphenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6359-0082
N-(4-amino-6-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3,5-triazin-2-yl)-N-(3-methylphenyl)amine

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

6359-0082

Molecular Formula

C13H14N8S2 (C13 H14 N8 S2)

Compound Name

N-(4-amino-6-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3,5-triazin-2-yl)-N-(3-methylphenyl)amine

IUPAC name

6-{[(5-amino-134-thiadiazol-2-yl)sulfanyl]methyl}-N2-(3-methylphenyl)-135-triazine-24-diamine

SMILES

Cc1cccc(Nc2nc(N)nc(CSc3nnc(N)s3)n2)c1

InChI

InChI=1S/C13H14N8S2/c1-7-3-2-4-8(5-7)16-12-18-9(17-10(14)19-12)6-22-13-21-20-11(15)23-13/h2-5H,6H2,1H3,(H2,15,20)(H3,14,16,17,18,19)

InChI Key

FFLOXKRRXIQQHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03871859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.566

Distribution Coefficient, logD

2.563

Water Solubility, LogSw

-2.61

Polar Surface Area

105.000

Acid Dissociation Constant (pKa)

17.82

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

6359-0082 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6359-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6359-0082?
Check Price and Availability of 6359-0082, 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 6359-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6359-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6359-0082
  • 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 6359-0082 available by request