4778-0070 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-{4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl}acetamide

4778-0070 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-{4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl}acetamide
4778-0070 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-{4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4778-0070
2-(1,3-benzoxazol-2-ylsulfanyl)-N-{4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl}acetamide

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

4778-0070

Molecular Formula

C19H14ClN5O4S2 (C19 H14 ClN5 O4 S2)

Compound Name

2-(1,3-benzoxazol-2-ylsulfanyl)-N-{4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl}acetamide

IUPAC name

2-(13-benzoxazol-2-ylsulfanyl)-N-{4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl}acetamide

SMILES

O=C(CSc1nc(cccc2)c2o1)Nc(cc1)ccc1S(Nc(cc1)nnc1Cl)(=O)=O

InChI

InChI=1S/C19H14ClN5O4S2/c20-16-9-10-17(24-23-16)25-31(27,28)13-7-5-12(6-8-13)21-18(26)11-30-19-22-14-3-1-2-4-15(14)29-19/h1-10H,11H2,(H,21,26)(H,24,25)

InChI Key

YFFWLMZDHXOSMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03161633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.94

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.889

Distribution Coefficient, logD

1.045

Water Solubility, LogSw

-3.63

Polar Surface Area

102.606

Acid Dissociation Constant (pKa)

5.56

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

4778-0070 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4778-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4778-0070?
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What is the minimum amount of 4778-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4778-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4778-0070
  • 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 4778-0070 available by request