5604-0164 Screening compound: 3-ethyl-5-({[4-(3-methylbutoxy)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-4-amine

5604-0164 Screening compound: 3-ethyl-5-({[4-(3-methylbutoxy)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-4-amine
5604-0164 Screening compound: 3-ethyl-5-({[4-(3-methylbutoxy)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5604-0164
3-ethyl-5-({[4-(3-methylbutoxy)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-4-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

5604-0164

Molecular Formula

C16H24N4OS (C16 H24 N4 OS)

Compound Name

3-ethyl-5-({[4-(3-methylbutoxy)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-4-amine

IUPAC name

3-ethyl-5-({[4-(3-methylbutoxy)phenyl]methyl}sulfanyl)-4H-124-triazol-4-amine

SMILES

CCc(n1N)nnc1SCc(cc1)ccc1OCCC(C)C

InChI

InChI=1S/C16H24N4OS/c1-4-15-18-19-16(20(15)17)22-11-13-5-7-14(8-6-13)21-10-9-12(2)3/h5-8,12H,4,9-11,17H2,1-3H3

InChI Key

SXPQXWISEDMDOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03665416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.175

Distribution Coefficient, logD

3.175

Water Solubility, LogSw

-3.22

Polar Surface Area

50.805

Acid Dissociation Constant (pKa)

19.99

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

5604-0164 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5604-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5604-0164?
Check Price and Availability of 5604-0164, 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 5604-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5604-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5604-0164
  • 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 5604-0164 available by request