7009-0827 Screening compound: (3-benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl (4-fluorophenyl) ether

7009-0827 Screening compound: (3-benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl (4-fluorophenyl) ether
7009-0827 Screening compound: (3-benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl (4-fluorophenyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 7009-0827
(3-benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl (4-fluorophenyl) ether

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

7009-0827

Molecular Formula

C17H13FN4OS (C17 H13 FN4 OS)

Compound Name

(3-benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl (4-fluorophenyl) ether

IUPAC name

3-benzyl-6-[(4-fluorophenoxy)methyl]-[124]triazolo[34-b][134]thiadiazole

SMILES

Fc(cc1)ccc1OCc(s1)nn2c1nnc2Cc1ccccc1

InChI

InChI=1S/C17H13FN4OS/c18-13-6-8-14(9-7-13)23-11-16-21-22-15(19-20-17(22)24-16)10-12-4-2-1-3-5-12/h1-9H,10-11H2

InChI Key

PMHBKGSEJCIYPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05088183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.106

Distribution Coefficient, logD

3.106

Water Solubility, LogSw

-3.15

Polar Surface Area

42.692

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

7009-0827 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 7009-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7009-0827?
Check Price and Availability of 7009-0827, 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 7009-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7009-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7009-0827
  • 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 7009-0827 available by request