D684-0366 Screening compound: 4-(azepan-1-yl)-N,N-dimethyl-6-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

D684-0366 Screening compound: 4-(azepan-1-yl)-N,N-dimethyl-6-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
D684-0366 Screening compound: 4-(azepan-1-yl)-N,N-dimethyl-6-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D684-0366
4-(azepan-1-yl)-N,N-dimethyl-6-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-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

D684-0366

Molecular Formula

C22H30N8OS (C22 H30 N8 OS)

Compound Name

4-(azepan-1-yl)-N,N-dimethyl-6-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

IUPAC name

4-(azepan-1-yl)-NN-dimethyl-6-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-124-triazol-1-yl)-135-triazin-2-amine

SMILES

Cc(cccc1)c1OCCSc(nc1)nn1-c1nc(N2CCCCCC2)nc(N(C)C)n1

InChI

InChI=1S/C22H30N8OS/c1-17-10-6-7-11-18(17)31-14-15-32-22-23-16-30(27-22)21-25-19(28(2)3)24-20(26-21)29-12-8-4-5-9-13-29/h6-7,10-11,16H,4-5,8-9,12-15H2,1-3H3

InChI Key

BLGAMRQCRIWJSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.007

Distribution Coefficient, logD

6.005

Water Solubility, LogSw

-5.59

Polar Surface Area

63.368

Acid Dissociation Constant (pKa)

19.39

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with D684-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D684-0366?
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What is the minimum amount of D684-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D684-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D684-0366
  • 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 D684-0366 available by request