5933-0660 Screening compound: 3-(adamantan-1-yl)-4-(4-methoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

5933-0660 Screening compound: 3-(adamantan-1-yl)-4-(4-methoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
5933-0660 Screening compound: 3-(adamantan-1-yl)-4-(4-methoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5933-0660
3-(adamantan-1-yl)-4-(4-methoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

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

5933-0660

Molecular Formula

C19H23N3OS (C19 H23 N3 OS)

Compound Name

3-(adamantan-1-yl)-4-(4-methoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

3-(adamantan-1-yl)-4-(4-methoxyphenyl)-45-dihydro-1H-124-triazole-5-thione

SMILES

COc(cc1)ccc1N(C(C1(CC(C2)C3)CC3CC2C1)=NN1)C1=S

InChI

InChI=1S/C19H23N3OS/c1-23-16-4-2-15(3-5-16)22-17(20-21-18(22)24)19-9-12-6-13(10-19)8-14(7-12)11-19/h2-5,12-14H,6-11H2,1H3,(H,21,24)

InChI Key

YDRVDKPCLGEAEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05986343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.100

Distribution Coefficient, logD

5.030

Water Solubility, LogSw

-4.95

Polar Surface Area

34.550

Acid Dissociation Constant (pKa)

8.15

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

References: we are preparing a list of scientific research reports with 5933-0660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5933-0660?
Check Price and Availability of 5933-0660, 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 5933-0660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5933-0660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5933-0660
  • 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 5933-0660 available by request