4477-1761 Screening compound: 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-N2-(4-methoxyphenyl)-N4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

4477-1761 Screening compound: 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-N2-(4-methoxyphenyl)-N4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
4477-1761 Screening compound: 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-N2-(4-methoxyphenyl)-N4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-1761
6-(1H-1,3-benzodiazol-2-ylsulfanyl)-N2-(4-methoxyphenyl)-N4-(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

4477-1761

Molecular Formula

C24H21N7OS (C24 H21 N7 OS)

Compound Name

6-(1H-1,3-benzodiazol-2-ylsulfanyl)-N2-(4-methoxyphenyl)-N4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-(1H-13-benzodiazol-2-ylsulfanyl)-N2-(4-methoxyphenyl)-N4-(4-methylphenyl)-135-triazine-24-diamine

SMILES

Cc(cc1)ccc1Nc1nc(Sc2nc(cccc3)c3[nH]2)nc(Nc(cc2)ccc2OC)n1

InChI

InChI=1S/C24H21N7OS/c1-15-7-9-16(10-8-15)25-21-29-22(26-17-11-13-18(32-2)14-12-17)31-24(30-21)33-23-27-19-5-3-4-6-20(19)28-23/h3-14H,1-2H3,(H,27,28)(H2,25,26,29,30,31)

InChI Key

WYCXHCSVJSWWSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01958073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.953

Distribution Coefficient, logD

6.288

Water Solubility, LogSw

-5.99

Polar Surface Area

74.205

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 4477-1761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-1761?
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What is the minimum amount of 4477-1761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-1761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-1761
  • 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 4477-1761 available by request