4606-3689 Screening compound: 5-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-3-phenyl-1,2-oxazole-4-carboxamide

4606-3689 Screening compound: 5-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-3-phenyl-1,2-oxazole-4-carboxamide
4606-3689 Screening compound: 5-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-3-phenyl-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4606-3689
5-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-3-phenyl-1,2-oxazole-4-carboxamide

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

4606-3689

Molecular Formula

C22H19N5O4S (C22 H19 N5 O4 S)

Compound Name

5-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-3-phenyl-1,2-oxazole-4-carboxamide

IUPAC name

5-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-3-phenyl-12-oxazole-4-carboxamide

SMILES

Cc1c(C(Nc(cc2)ccc2S(Nc2nc(C)ccn2)(=O)=O)=O)c(-c2ccccc2)no1

InChI

InChI=1S/C22H19N5O4S/c1-14-12-13-23-22(24-14)27-32(29,30)18-10-8-17(9-11-18)25-21(28)19-15(2)31-26-20(19)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,25,28)(H,23,24,27)

InChI Key

VBGWRHUAOIVHQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01339492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.601

Distribution Coefficient, logD

1.989

Water Solubility, LogSw

-3.33

Polar Surface Area

105.883

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4606-3689 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4606-3689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4606-3689?
Check Price and Availability of 4606-3689, 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 4606-3689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4606-3689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4606-3689
  • 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 4606-3689 available by request