SA95-0220 Screening compound: 2-[1-(5-fluoro-2-methylbenzenesulfonyl)pyrrolidin-2-yl]-1-[(4-methoxyphenyl)methyl]-5-methyl-1H-imidazole

SA95-0220 Screening compound: 2-[1-(5-fluoro-2-methylbenzenesulfonyl)pyrrolidin-2-yl]-1-[(4-methoxyphenyl)methyl]-5-methyl-1H-imidazole
SA95-0220 Screening compound: 2-[1-(5-fluoro-2-methylbenzenesulfonyl)pyrrolidin-2-yl]-1-[(4-methoxyphenyl)methyl]-5-methyl-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SA95-0220
2-[1-(5-fluoro-2-methylbenzenesulfonyl)pyrrolidin-2-yl]-1-[(4-methoxyphenyl)methyl]-5-methyl-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

SA95-0220

Molecular Formula

C23H26FN3O3S (C23 H26 FN3 O3 S)

Compound Name

2-[1-(5-fluoro-2-methylbenzenesulfonyl)pyrrolidin-2-yl]-1-[(4-methoxyphenyl)methyl]-5-methyl-1H-imidazole

IUPAC name

2-[1-(5-fluoro-2-methylbenzenesulfonyl)pyrrolidin-2-yl]-1-[(4-methoxyphenyl)methyl]-5-methyl-1H-imidazole

SMILES

Cc1cnc(C(CCC2)N2S(c2c(C)ccc(F)c2)(=O)=O)n1Cc(cc1)ccc1OC

InChI

InChI=1S/C23H26FN3O3S/c1-16-6-9-19(24)13-22(16)31(28,29)27-12-4-5-21(27)23-25-14-17(2)26(23)15-18-7-10-20(30-3)11-8-18/h6-11,13-14,21H,4-5,12,15H2,1-3H3/t21-/m0/s1

InChI Key

XHXCLRKJIUZSMV-NRFANRHFSA-N

MDL Number (MFCD)

MFCD32243631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.001

Distribution Coefficient, logD

2.904

Water Solubility, LogSw

-3.99

Polar Surface Area

51.243

Acid Dissociation Constant (pKa)

23.53

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

SA95-0220 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 SA95-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA95-0220?
Check Price and Availability of SA95-0220, 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 SA95-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA95-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA95-0220
  • 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 SA95-0220 available by request