5645-0417 Screening compound: 6-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

5645-0417 Screening compound: 6-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
5645-0417 Screening compound: 6-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5645-0417
6-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

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

5645-0417

Molecular Formula

C18H17N7S (C18 H17 N7 S)

Compound Name

6-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-[(1H-13-benzodiazol-2-ylsulfanyl)methyl]-N2-(4-methylphenyl)-135-triazine-24-diamine

SMILES

Cc(cc1)ccc1Nc1nc(N)nc(CSc2nc(cccc3)c3[nH]2)n1

InChI

InChI=1S/C18H17N7S/c1-11-6-8-12(9-7-11)20-17-24-15(23-16(19)25-17)10-26-18-21-13-4-2-3-5-14(13)22-18/h2-9H,10H2,1H3,(H,21,22)(H3,19,20,23,24,25)

InChI Key

XQRZEMKNWQLCOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03490249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.887

Distribution Coefficient, logD

3.800

Water Solubility, LogSw

-4.12

Polar Surface Area

79.350

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

5645-0417 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5645-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5645-0417?
Check Price and Availability of 5645-0417, 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 5645-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5645-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5645-0417
  • 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 5645-0417 available by request