F946-0037 Screening compound: N-[2-(4-chlorophenyl)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methylbenzene-1-sulfonamide

F946-0037 Screening compound: N-[2-(4-chlorophenyl)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methylbenzene-1-sulfonamide
F946-0037 Screening compound: N-[2-(4-chlorophenyl)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F946-0037
N-[2-(4-chlorophenyl)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methylbenzene-1-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

F946-0037

Molecular Formula

C24H23ClN4O4S (C24 H23 ClN4 O4 S)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methylbenzene-1-sulfonamide

IUPAC name

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

SMILES

Cc1noc(C)c1N(C(C=C1)=O)N=C1c1cc(S(NCCc(cc2)ccc2Cl)(=O)=O)c(C)cc1

InChI

InChI=1S/C24H23ClN4O4S/c1-15-4-7-19(21-10-11-23(30)29(27-21)24-16(2)28-33-17(24)3)14-22(15)34(31,32)26-13-12-18-5-8-20(25)9-6-18/h4-11,14,26H,12-13H2,1-3H3

InChI Key

UWYSUARCPZAJEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27205429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.99

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.330

Distribution Coefficient, logD

4.330

Water Solubility, LogSw

-4.57

Polar Surface Area

90.164

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

F946-0037 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F946-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F946-0037?
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What is the minimum amount of F946-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F946-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F946-0037
  • 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 F946-0037 available by request