5664-0047 Screening compound: N-{4,6-bis[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide

5664-0047 Screening compound: N-{4,6-bis[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide
5664-0047 Screening compound: N-{4,6-bis[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5664-0047
N-{4,6-bis[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide

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

5664-0047

Molecular Formula

C18H25N9O2S (C18 H25 N9 O2 S)

Compound Name

N-{4,6-bis[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide

IUPAC name

N-{46-bis[(propan-2-yl)amino]-135-triazin-2-yl}-4-methyl-N-(4H-124-triazol-4-yl)benzene-1-sulfonamide

SMILES

CC(C)Nc1nc(N(n2cnnc2)S(c2ccc(C)cc2)(=O)=O)nc(NC(C)C)n1

InChI

InChI=1S/C18H25N9O2S/c1-12(2)21-16-23-17(22-13(3)4)25-18(24-16)27(26-10-19-20-11-26)30(28,29)15-8-6-14(5)7-9-15/h6-13H,1-5H3,(H2,21,22,23,24,25)

InChI Key

STLDQGAXAZXNGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00339062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.349

Distribution Coefficient, logD

3.347

Water Solubility, LogSw

-3.79

Polar Surface Area

109.137

Acid Dissociation Constant (pKa)

15.90

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

5664-0047 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5664-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5664-0047?
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What is the minimum amount of 5664-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5664-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5664-0047
  • 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 5664-0047 available by request