L785-0049 Screening compound: 3-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]urea

L785-0049 Screening compound: 3-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]urea
L785-0049 Screening compound: 3-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L785-0049
3-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]urea

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

L785-0049

Molecular Formula

C19H13F3N6O2S2 (C19 H13 F3 N6 O2 S2)

Compound Name

3-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]urea

IUPAC name

3-(5-{[(3-oxo-34-dihydroquinoxalin-2-yl)methyl]sulfanyl}-134-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]urea

SMILES

O=C(Nc1nnc(SCC2=Nc(cccc3)c3NC2=O)s1)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C19H13F3N6O2S2/c20-19(21,22)10-4-3-5-11(8-10)23-16(30)26-17-27-28-18(32-17)31-9-14-15(29)25-13-7-2-1-6-12(13)24-14/h1-8H,9H2,(H,25,29)(H2,23,26,27,30)

InChI Key

XTKSMYZRQMTSMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.062

Distribution Coefficient, logD

5.062

Water Solubility, LogSw

-4.89

Polar Surface Area

88.066

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

L785-0049 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with L785-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L785-0049?
Check Price and Availability of L785-0049, 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 L785-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L785-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L785-0049
  • 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 L785-0049 available by request