8018-2553 Screening compound: 6-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

8018-2553 Screening compound: 6-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
8018-2553 Screening compound: 6-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2553
6-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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

8018-2553

Molecular Formula

C17H13ClN4OS (C17 H13 ClN4 OS)

Compound Name

6-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

6-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

COc(cc1)ccc1-c1nnc2sc(Cc(cc3)ccc3Cl)nn12

InChI

InChI=1S/C17H13ClN4OS/c1-23-14-8-4-12(5-9-14)16-19-20-17-22(16)21-15(24-17)10-11-2-6-13(18)7-3-11/h2-9H,10H2,1H3

InChI Key

MDTKHINHALEKJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.210

Distribution Coefficient, logD

4.210

Water Solubility, LogSw

-4.62

Polar Surface Area

41.761

Acid Dissociation Constant (pKa)

28.34

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8018-2553 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8018-2553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2553?
Check Price and Availability of 8018-2553, 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 8018-2553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2553
  • 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 8018-2553 available by request