D308-0374 Screening compound: 1-(1-benzofuran-2-yl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}ethan-1-one

D308-0374 Screening compound: 1-(1-benzofuran-2-yl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}ethan-1-one
D308-0374 Screening compound: 1-(1-benzofuran-2-yl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D308-0374
1-(1-benzofuran-2-yl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}ethan-1-one

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

D308-0374

Molecular Formula

C20H13N3O2S (C20 H13 N3 O2 S)

Compound Name

1-(1-benzofuran-2-yl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}ethan-1-one

IUPAC name

1-(1-benzofuran-2-yl)-2-{[124]triazolo[43-a]quinolin-1-ylsulfanyl}ethan-1-one

SMILES

O=C(CSc1nnc2n1c(cccc1)c1cc2)c1cc(cccc2)c2o1

InChI

InChI=1S/C20H13N3O2S/c24-16(18-11-14-6-2-4-8-17(14)25-18)12-26-20-22-21-19-10-9-13-5-1-3-7-15(13)23(19)20/h1-11H,12H2

InChI Key

YOCHJUPAYPMMGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06488581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.586

Distribution Coefficient, logD

4.586

Water Solubility, LogSw

-4.89

Polar Surface Area

42.622

Acid Dissociation Constant (pKa)

15.84

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

D308-0374 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 D308-0374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D308-0374?
Check Price and Availability of D308-0374, 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 D308-0374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D308-0374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D308-0374
  • 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 D308-0374 available by request