T161-1146 Screening compound: N-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}ethyl)-2,5-dimethoxybenzene-1-sulfonamide

T161-1146 Screening compound: N-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}ethyl)-2,5-dimethoxybenzene-1-sulfonamide
T161-1146 Screening compound: N-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}ethyl)-2,5-dimethoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T161-1146
N-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}ethyl)-2,5-dimethoxybenzene-1-sulfonamide

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

T161-1146

Molecular Formula

C21H24FN3O4S (C21 H24 FN3 O4 S)

Compound Name

N-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}ethyl)-2,5-dimethoxybenzene-1-sulfonamide

IUPAC name

N-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}ethyl)-25-dimethoxybenzene-1-sulfonamide

SMILES

Cc1cnc(CCNS(c(cc(cc2)OC)c2OC)(=O)=O)n1Cc(cc1)ccc1F

InChI

InChI=1S/C21H24FN3O4S/c1-15-13-23-21(25(15)14-16-4-6-17(22)7-5-16)10-11-24-30(26,27)20-12-18(28-2)8-9-19(20)29-3/h4-9,12-13,24H,10-11,14H2,1-3H3

InChI Key

ZVJYTKRVKODLLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31975547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.152

Distribution Coefficient, logD

3.107

Water Solubility, LogSw

-3.30

Polar Surface Area

69.173

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

6.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

T161-1146 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T161-1146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T161-1146?
Check Price and Availability of T161-1146, 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 T161-1146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T161-1146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T161-1146
  • 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 T161-1146 available by request