D684-0171 Screening compound: N2-ethyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine

D684-0171 Screening compound: N2-ethyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine
D684-0171 Screening compound: N2-ethyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D684-0171
N2-ethyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-N4-(propan-2-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

D684-0171

Molecular Formula

C11H18N8S (C11 H18 N8 S)

Compound Name

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

IUPAC name

N2-ethyl-6-[3-(methylsulfanyl)-1H-124-triazol-1-yl]-N4-(propan-2-yl)-135-triazine-24-diamine

SMILES

CCNc1nc(-n(cn2)nc2SC)nc(NC(C)C)n1

InChI

InChI=1S/C11H18N8S/c1-5-12-8-15-9(14-7(2)3)17-10(16-8)19-6-13-11(18-19)20-4/h6-7H,5H2,1-4H3,(H2,12,14,15,16,17)

InChI Key

AJTWSFJQAKDENH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.846

Distribution Coefficient, logD

2.845

Water Solubility, LogSw

-3.14

Polar Surface Area

73.574

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

D684-0171 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 D684-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D684-0171?
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What is the minimum amount of D684-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D684-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D684-0171
  • 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 D684-0171 available by request