D684-0135 Screening compound: 6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-N2,N4-bis(propan-2-yl)-1,3,5-triazine-2,4-diamine

D684-0135 Screening compound: 6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-N2,N4-bis(propan-2-yl)-1,3,5-triazine-2,4-diamine
D684-0135 Screening compound: 6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-N2,N4-bis(propan-2-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D684-0135
6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-N2,N4-bis(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

D684-0135

Molecular Formula

C12H20N8S (C12 H20 N8 S)

Compound Name

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

IUPAC name

6-[3-(methylsulfanyl)-1H-124-triazol-1-yl]-N2N4-bis(propan-2-yl)-135-triazine-24-diamine

SMILES

CC(C)Nc1nc(-n(cn2)nc2SC)nc(NC(C)C)n1

InChI

InChI=1S/C12H20N8S/c1-7(2)14-9-16-10(15-8(3)4)18-11(17-9)20-6-13-12(19-20)21-5/h6-8H,1-5H3,(H2,14,15,16,17,18)

InChI Key

BHVSZEXEGQWIPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.41

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

3.218

Distribution Coefficient, logD

3.218

Water Solubility, LogSw

-3.59

Polar Surface Area

72.922

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

D684-0135 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D684-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D684-0135?
Check Price and Availability of D684-0135, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D684-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D684-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D684-0135
  • 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 D684-0135 available by request