D684-0181 Screening compound: 6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N2-butyl-N4-ethyl-1,3,5-triazine-2,4-diamine

D684-0181 Screening compound: 6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N2-butyl-N4-ethyl-1,3,5-triazine-2,4-diamine
D684-0181 Screening compound: 6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N2-butyl-N4-ethyl-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D684-0181
6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N2-butyl-N4-ethyl-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

D684-0181

Molecular Formula

C18H24N8S (C18 H24 N8 S)

Compound Name

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

IUPAC name

6-[3-(benzylsulfanyl)-1H-124-triazol-1-yl]-N2-butyl-N4-ethyl-135-triazine-24-diamine

SMILES

CCCCNc1nc(NCC)nc(-n(cn2)nc2SCc2ccccc2)n1

InChI

InChI=1S/C18H24N8S/c1-3-5-11-20-16-22-15(19-4-2)23-17(24-16)26-13-21-18(25-26)27-12-14-9-7-6-8-10-14/h6-10,13H,3-5,11-12H2,1-2H3,(H2,19,20,22,23,24)

InChI Key

QFRFGMSAWXKEAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.687

Distribution Coefficient, logD

4.686

Water Solubility, LogSw

-4.39

Polar Surface Area

74.170

Acid Dissociation Constant (pKa)

17.83

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with D684-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D684-0181?
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What is the minimum amount of D684-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D684-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D684-0181
  • 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 D684-0181 available by request