D406-0391 Screening compound: 2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide

D406-0391 Screening compound: 2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
D406-0391 Screening compound: 2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D406-0391
2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide

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

D406-0391

Molecular Formula

C23H21N3O4S2 (C23 H21 N3 O4 S2)

Compound Name

2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide

SMILES

Cc(cc1)ccc1-c([nH]1)nc(S(c2ccccc2)(=O)=O)c1SCC(NCc1ccco1)=O

InChI

InChI=1S/C23H21N3O4S2/c1-16-9-11-17(12-10-16)21-25-22(31-15-20(27)24-14-18-6-5-13-30-18)23(26-21)32(28,29)19-7-3-2-4-8-19/h2-13H,14-15H2,1H3,(H,24,27)(H,25,26)

InChI Key

JOYNYGLHSRBDAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09989669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.770

Distribution Coefficient, logD

4.742

Water Solubility, LogSw

-4.55

Polar Surface Area

81.683

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D406-0391 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D406-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D406-0391?
Check Price and Availability of D406-0391, 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 D406-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D406-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D406-0391
  • 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 D406-0391 available by request