D684-0162 Screening compound: N2,N2,N4-triethyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine

D684-0162 Screening compound: N2,N2,N4-triethyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine
D684-0162 Screening compound: N2,N2,N4-triethyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D684-0162
N2,N2,N4-triethyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-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

D684-0162

Molecular Formula

C12H20N8S (C12 H20 N8 S)

Compound Name

N2,N2,N4-triethyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine

IUPAC name

N2N2N4-triethyl-6-[3-(methylsulfanyl)-1H-124-triazol-1-yl]-135-triazine-24-diamine

SMILES

CCNc1nc(-n(cn2)nc2SC)nc(N(CC)CC)n1

InChI

InChI=1S/C12H20N8S/c1-5-13-9-15-10(19(6-2)7-3)17-11(16-9)20-8-14-12(18-20)21-4/h8H,5-7H2,1-4H3,(H,13,15,16,17)

InChI Key

JYMICJVCNQUKID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.569

Distribution Coefficient, logD

3.567

Water Solubility, LogSw

-3.78

Polar Surface Area

64.623

Acid Dissociation Constant (pKa)

17.58

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

D684-0162 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D684-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D684-0162?
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What is the minimum amount of D684-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D684-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D684-0162
  • 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 D684-0162 available by request