K280-0097 Screening compound: 3-fluorobenzyl (2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl) sulfide

K280-0097 Screening compound: 3-fluorobenzyl (2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl) sulfide
K280-0097 Screening compound: 3-fluorobenzyl (2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl) sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0097
3-fluorobenzyl (2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl) sulfide

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

K280-0097

Molecular Formula

C17H13FN4S (C17 H13 FN4 S)

Compound Name

3-fluorobenzyl (2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl) sulfide

IUPAC name

5-{[(3-fluorophenyl)methyl]sulfanyl}-2-methyl-[124]triazolo[15-c]quinazoline

SMILES

Cc1nn2c(SCc3cc(F)ccc3)nc(cccc3)c3c2n1

InChI

InChI=1S/C17H13FN4S/c1-11-19-16-14-7-2-3-8-15(14)20-17(22(16)21-11)23-10-12-5-4-6-13(18)9-12/h2-9H,10H2,1H3

InChI Key

WKEYLIQKOTZINO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.937

Distribution Coefficient, logD

3.899

Water Solubility, LogSw

-4.08

Polar Surface Area

29.681

Acid Dissociation Constant (pKa)

22.94

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

K280-0097 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K280-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0097?
Check Price and Availability of K280-0097, 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 K280-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0097
  • 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 K280-0097 available by request