1734-0400 Screening compound: 6-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N4-ethyl-N2,N2-diphenyl-1,3,5-triazine-2,4-diamine

1734-0400 Screening compound: 6-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N4-ethyl-N2,N2-diphenyl-1,3,5-triazine-2,4-diamine
1734-0400 Screening compound: 6-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N4-ethyl-N2,N2-diphenyl-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1734-0400
6-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N4-ethyl-N2,N2-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

1734-0400

Molecular Formula

C23H23N7S (C23 H23 N7 S)

Compound Name

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

IUPAC name

6-[(46-dimethylpyrimidin-2-yl)sulfanyl]-N4-ethyl-N2N2-diphenyl-135-triazine-24-diamine

SMILES

CCNc1nc(Sc2nc(C)cc(C)n2)nc(N(c2ccccc2)c2ccccc2)n1

InChI

InChI=1S/C23H23N7S/c1-4-24-20-27-21(29-23(28-20)31-22-25-16(2)15-17(3)26-22)30(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15H,4H2,1-3H3,(H,24,27,28,29)

InChI Key

CKLJJLQTWJKDBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00995350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.623

Distribution Coefficient, logD

5.110

Water Solubility, LogSw

-5.63

Polar Surface Area

57.329

Acid Dissociation Constant (pKa)

18.26

Base Dissociation Constant (pKb)

7.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

1734-0400 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 1734-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1734-0400?
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What is the minimum amount of 1734-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1734-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1734-0400
  • 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 1734-0400 available by request