3456-4671 Screening compound: 6-(1,3-benzoxazol-2-ylsulfanyl)-N2,N4-bis(3-methylphenyl)-1,3,5-triazine-2,4-diamine

3456-4671 Screening compound: 6-(1,3-benzoxazol-2-ylsulfanyl)-N2,N4-bis(3-methylphenyl)-1,3,5-triazine-2,4-diamine
3456-4671 Screening compound: 6-(1,3-benzoxazol-2-ylsulfanyl)-N2,N4-bis(3-methylphenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-4671
6-(1,3-benzoxazol-2-ylsulfanyl)-N2,N4-bis(3-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

3456-4671

Molecular Formula

C24H20N6OS (C24 H20 N6 OS)

Compound Name

6-(1,3-benzoxazol-2-ylsulfanyl)-N2,N4-bis(3-methylphenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-(13-benzoxazol-2-ylsulfanyl)-N2N4-bis(3-methylphenyl)-135-triazine-24-diamine

SMILES

Cc1cccc(Nc2nc(Sc3nc(cccc4)c4o3)nc(Nc3cc(C)ccc3)n2)c1

InChI

InChI=1S/C24H20N6OS/c1-15-7-5-9-17(13-15)25-21-28-22(26-18-10-6-8-16(2)14-18)30-23(29-21)32-24-27-19-11-3-4-12-20(19)31-24/h3-14H,1-2H3,(H2,25,26,28,29,30)

InChI Key

KKYXNNBEVKBBPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01565347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.53

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

8.065

Distribution Coefficient, logD

8.065

Water Solubility, LogSw

-5.88

Polar Surface Area

65.312

Acid Dissociation Constant (pKa)

19.14

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 3456-4671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-4671?
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What is the minimum amount of 3456-4671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-4671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-4671
  • 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 3456-4671 available by request