1490-0258 Screening compound: {[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}(4-methylphenyl)methanone

1490-0258 Screening compound: {[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}(4-methylphenyl)methanone
1490-0258 Screening compound: {[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}(4-methylphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 1490-0258
{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}(4-methylphenyl)methanone

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

1490-0258

Molecular Formula

C23H18N2O3S2 (C23 H18 N2 O3 S2)

Compound Name

{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}(4-methylphenyl)methanone

IUPAC name

{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}(4-methylphenyl)methanone

SMILES

Cc(cc1)ccc1C(Sc([nH]c(-c1ccccc1)n1)c1S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C23H18N2O3S2/c1-16-12-14-18(15-13-16)23(26)29-21-22(30(27,28)19-10-6-3-7-11-19)25-20(24-21)17-8-4-2-5-9-17/h2-15H,1H3,(H,24,25)

InChI Key

IDWJSIHSUORTGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00548052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.822

Distribution Coefficient, logD

5.366

Water Solubility, LogSw

-5.72

Polar Surface Area

62.734

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

1490-0258 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1490-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1490-0258?
Check Price and Availability of 1490-0258, 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 1490-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1490-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1490-0258
  • 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 1490-0258 available by request