D317-5230 Screening compound: 4-(4-methylbenzenesulfonyl)-2-phenyl-5-(prop-2-en-1-ylsulfanyl)-1H-imidazole

D317-5230 Screening compound: 4-(4-methylbenzenesulfonyl)-2-phenyl-5-(prop-2-en-1-ylsulfanyl)-1H-imidazole
D317-5230 Screening compound: 4-(4-methylbenzenesulfonyl)-2-phenyl-5-(prop-2-en-1-ylsulfanyl)-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D317-5230
4-(4-methylbenzenesulfonyl)-2-phenyl-5-(prop-2-en-1-ylsulfanyl)-1H-imidazole

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

D317-5230

Molecular Formula

C19H18N2O2S2 (C19 H18 N2 O2 S2)

Compound Name

4-(4-methylbenzenesulfonyl)-2-phenyl-5-(prop-2-en-1-ylsulfanyl)-1H-imidazole

IUPAC name

4-(4-methylbenzenesulfonyl)-2-phenyl-5-(prop-2-en-1-ylsulfanyl)-1H-imidazole

SMILES

Cc(cc1)ccc1S(c(nc(-c1ccccc1)[nH]1)c1SCC=C)(=O)=O

InChI

InChI=1S/C19H18N2O2S2/c1-3-13-24-18-19(21-17(20-18)15-7-5-4-6-8-15)25(22,23)16-11-9-14(2)10-12-16/h3-12H,1,13H2,2H3,(H,20,21)

InChI Key

XMCXGOXGFGPZAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09961390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.224

Distribution Coefficient, logD

5.195

Water Solubility, LogSw

-5.21

Polar Surface Area

49.734

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D317-5230 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D317-5230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D317-5230?
Check Price and Availability of D317-5230, 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 D317-5230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D317-5230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D317-5230
  • 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 D317-5230 available by request