L784-0044 Screening compound: N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide

L784-0044 Screening compound: N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide
L784-0044 Screening compound: N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L784-0044
N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide

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

L784-0044

Molecular Formula

C14H13N5O2S2 (C14 H13 N5 O2 S2)

Compound Name

N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide

IUPAC name

N-(5-{[(3-oxo-34-dihydroquinoxalin-2-yl)methyl]sulfanyl}-134-thiadiazol-2-yl)propanamide

SMILES

CCC(Nc1nnc(SCC2=Nc(cccc3)c3NC2=O)s1)=O

InChI

InChI=1S/C14H13N5O2S2/c1-2-11(20)17-13-18-19-14(23-13)22-7-10-12(21)16-9-6-4-3-5-8(9)15-10/h3-6H,2,7H2,1H3,(H,16,21)(H,17,18,20)

InChI Key

VVDFQNUKGQNZIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.309

Distribution Coefficient, logD

2.308

Water Solubility, LogSw

-2.72

Polar Surface Area

78.912

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

L784-0044 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L784-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L784-0044?
Check Price and Availability of L784-0044, 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 L784-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L784-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L784-0044
  • 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 L784-0044 available by request