4477-2876 Screening compound: 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine

4477-2876 Screening compound: 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine
4477-2876 Screening compound: 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-2876
6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N2,N4-diphenyl-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

4477-2876

Molecular Formula

C18H15N7S2 (C18 H15 N7 S2)

Compound Name

6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine

IUPAC name

6-[(5-methyl-134-thiadiazol-2-yl)sulfanyl]-N2N4-diphenyl-135-triazine-24-diamine

SMILES

Cc1nnc(Sc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)s1

InChI

InChI=1S/C18H15N7S2/c1-12-24-25-18(26-12)27-17-22-15(19-13-8-4-2-5-9-13)21-16(23-17)20-14-10-6-3-7-11-14/h2-11H,1H3,(H2,19,20,21,22,23)

InChI Key

BORCEGKFVCIFDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01559448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.424

Distribution Coefficient, logD

5.424

Water Solubility, LogSw

-5.69

Polar Surface Area

71.320

Acid Dissociation Constant (pKa)

18.96

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

4477-2876 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4477-2876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-2876?
Check Price and Availability of 4477-2876, 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 4477-2876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-2876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-2876
  • 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 4477-2876 available by request