D684-0091 Screening compound: N-methyl-4-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine

D684-0091 Screening compound: N-methyl-4-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
D684-0091 Screening compound: N-methyl-4-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D684-0091
N-methyl-4-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine

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

D684-0091

Molecular Formula

C11H16N8S (C11 H16 N8 S)

Compound Name

N-methyl-4-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine

IUPAC name

N-methyl-4-[3-(methylsulfanyl)-1H-124-triazol-1-yl]-6-(pyrrolidin-1-yl)-135-triazin-2-amine

SMILES

CNc1nc(-n(cn2)nc2SC)nc(N2CCCC2)n1

InChI

InChI=1S/C11H16N8S/c1-12-8-14-9(18-5-3-4-6-18)16-10(15-8)19-7-13-11(17-19)20-2/h7H,3-6H2,1-2H3,(H,12,14,15,16)

InChI Key

NKZUNJAKSROUFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.789

Distribution Coefficient, logD

2.788

Water Solubility, LogSw

-2.97

Polar Surface Area

66.229

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

D684-0091 in Drug Discovery

Included in Screening Libraries

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 D684-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D684-0091?
Check Price and Availability of D684-0091, 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 D684-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D684-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D684-0091
  • 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 D684-0091 available by request