8018-6553 Screening compound: bis(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol

8018-6553 Screening compound: bis(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
8018-6553 Screening compound: bis(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6553
bis(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol

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

8018-6553

Molecular Formula

C18H19N3O4S (C18 H19 N3 O4 S)

Compound Name

bis(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol

IUPAC name

bis(34-dimethoxyphenyl)-4H-124-triazole-3-thiol

SMILES

COc(ccc(-c(n1-c(cc2)cc(OC)c2OC)nnc1S)c1)c1OC

InChI

InChI=1S/C18H19N3O4S/c1-22-13-7-5-11(9-15(13)24-3)17-19-20-18(26)21(17)12-6-8-14(23-2)16(10-12)25-4/h5-10H,1-4H3,(H,20,26)

InChI Key

JGXCJQYFGRBPFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06668056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.566

Distribution Coefficient, logD

1.023

Water Solubility, LogSw

-2.72

Polar Surface Area

53.979

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8018-6553 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Antimitotic Tubulin Library (17355 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-6553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6553?
Check Price and Availability of 8018-6553, 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 8018-6553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6553
  • 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 8018-6553 available by request