L784-0055 Screening compound: 2,6-difluoro-N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide

L784-0055 Screening compound: 2,6-difluoro-N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
L784-0055 Screening compound: 2,6-difluoro-N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L784-0055
2,6-difluoro-N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide

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

L784-0055

Molecular Formula

C18H11F2N5O2S2 (C18 H11 F2 N5 O2 S2)

Compound Name

2,6-difluoro-N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide

IUPAC name

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

SMILES

O=C(c(c(F)ccc1)c1F)Nc1nnc(SCC2=Nc(cccc3)c3NC2=O)s1

InChI

InChI=1S/C18H11F2N5O2S2/c19-9-4-3-5-10(20)14(9)16(27)23-17-24-25-18(29-17)28-8-13-15(26)22-12-7-2-1-6-11(12)21-13/h1-7H,8H2,(H,22,26)(H,23,24,27)

InChI Key

QNJYAJPAGYOPNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.45

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

3.825

Distribution Coefficient, logD

2.857

Water Solubility, LogSw

-4.48

Polar Surface Area

78.854

Acid Dissociation Constant (pKa)

6.48

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

L784-0055 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L784-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L784-0055?
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What is the minimum amount of L784-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L784-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L784-0055
  • 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 L784-0055 available by request