3456-3622 Screening compound: 6-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N2,N4-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine

3456-3622 Screening compound: 6-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N2,N4-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine
3456-3622 Screening compound: 6-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N2,N4-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-3622
6-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N2,N4-bis(3,4-dimethylphenyl)-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

3456-3622

Molecular Formula

C22H24N6S2 (C22 H24 N6 S2)

Compound Name

6-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N2,N4-bis(3,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-(45-dihydro-13-thiazol-2-ylsulfanyl)-N2N4-bis(34-dimethylphenyl)-135-triazine-24-diamine

SMILES

Cc(cc1)c(C)cc1Nc1nc(SC2=NCCS2)nc(Nc2cc(C)c(C)cc2)n1

InChI

InChI=1S/C22H24N6S2/c1-13-5-7-17(11-15(13)3)24-19-26-20(25-18-8-6-14(2)16(4)12-18)28-21(27-19)30-22-23-9-10-29-22/h5-8,11-12H,9-10H2,1-4H3,(H2,24,25,26,27,28)

InChI Key

LFHVIKTXGOMZBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01562339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.049

Distribution Coefficient, logD

8.040

Water Solubility, LogSw

-5.80

Polar Surface Area

58.362

Acid Dissociation Constant (pKa)

18.23

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

3456-3622 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 3456-3622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-3622?
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What is the minimum amount of 3456-3622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-3622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-3622
  • 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 3456-3622 available by request