L781-0092 Screening compound: 3-(4-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)-1-phenylurea

L781-0092 Screening compound: 3-(4-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)-1-phenylurea
L781-0092 Screening compound: 3-(4-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound L781-0092
3-(4-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)-1-phenylurea

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

L781-0092

Molecular Formula

C22H18N4O2S (C22 H18 N4 O2 S)

Compound Name

3-(4-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)-1-phenylurea

IUPAC name

3-(4-{[(3-oxo-34-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)-1-phenylurea

SMILES

O=C(Nc1ccccc1)Nc(cc1)ccc1SCC1=Nc(cccc2)c2NC1=O

InChI

InChI=1S/C22H18N4O2S/c27-21-20(25-18-8-4-5-9-19(18)26-21)14-29-17-12-10-16(11-13-17)24-22(28)23-15-6-2-1-3-7-15/h1-13H,14H2,(H,26,27)(H2,23,24,28)

InChI Key

ZHINWFUQOSONSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.440

Distribution Coefficient, logD

4.440

Water Solubility, LogSw

-4.35

Polar Surface Area

65.160

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

L781-0092 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L781-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L781-0092?
Check Price and Availability of L781-0092, 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 L781-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L781-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L781-0092
  • 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 L781-0092 available by request