8018-7705 Screening compound: 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-N-(4-fluorophenyl)thiophene-2-sulfonamide

8018-7705 Screening compound: 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-N-(4-fluorophenyl)thiophene-2-sulfonamide
8018-7705 Screening compound: 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-N-(4-fluorophenyl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7705
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-N-(4-fluorophenyl)thiophene-2-sulfonamide

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

8018-7705

Molecular Formula

C19H15FN4O4S2 (C19 H15 FN4 O4 S2)

Compound Name

5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-N-(4-fluorophenyl)thiophene-2-sulfonamide

IUPAC name

5-[1-(35-dimethyl-12-oxazol-4-yl)-6-oxo-16-dihydropyridazin-3-yl]-N-(4-fluorophenyl)thiophene-2-sulfonamide

SMILES

Cc1noc(C)c1N(C(C=C1)=O)N=C1c(s1)ccc1S(Nc(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C19H15FN4O4S2/c1-11-19(12(2)28-22-11)24-17(25)9-7-15(21-24)16-8-10-18(29-16)30(26,27)23-14-5-3-13(20)4-6-14/h3-10,23H,1-2H3

InChI Key

IKFBCIMGMCYWAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08532167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.448

Distribution Coefficient, logD

3.308

Water Solubility, LogSw

-3.81

Polar Surface Area

90.233

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

8018-7705 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-7705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7705?
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What is the minimum amount of 8018-7705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7705
  • 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 8018-7705 available by request