D684-0016 Screening compound: N2,N4-dimethyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3,5-triazine-2,4-diamine

D684-0016 Screening compound: N2,N4-dimethyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3,5-triazine-2,4-diamine
D684-0016 Screening compound: N2,N4-dimethyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D684-0016
N2,N4-dimethyl-6-{3-[(2-phenoxyethyl)sulfanyl]-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

D684-0016

Molecular Formula

C15H18N8OS (C15 H18 N8 OS)

Compound Name

N2,N4-dimethyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1,3,5-triazine-2,4-diamine

IUPAC name

N2N4-dimethyl-6-{3-[(2-phenoxyethyl)sulfanyl]-1H-124-triazol-1-yl}-135-triazine-24-diamine

SMILES

CNc1nc(-n(cn2)nc2SCCOc2ccccc2)nc(NC)n1

InChI

InChI=1S/C15H18N8OS/c1-16-12-19-13(17-2)21-14(20-12)23-10-18-15(22-23)25-9-8-24-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,16,17,19,20,21)

InChI Key

NYVZUSJBGSINHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.846

Distribution Coefficient, logD

2.842

Water Solubility, LogSw

-3.23

Polar Surface Area

82.421

Acid Dissociation Constant (pKa)

18.15

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with D684-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D684-0016?
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What is the minimum amount of D684-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D684-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D684-0016
  • 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 D684-0016 available by request