T161-0996 Screening compound: 2-(3-fluorophenyl)-N-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}ethyl)acetamide

T161-0996 Screening compound: 2-(3-fluorophenyl)-N-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}ethyl)acetamide
T161-0996 Screening compound: 2-(3-fluorophenyl)-N-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}ethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T161-0996
2-(3-fluorophenyl)-N-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}ethyl)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

T161-0996

Molecular Formula

C21H21F2N3O (C21 H21 F2 N3 O)

Compound Name

2-(3-fluorophenyl)-N-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}ethyl)acetamide

IUPAC name

2-(3-fluorophenyl)-N-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}ethyl)acetamide

SMILES

Cc1cnc(CCNC(Cc2cccc(F)c2)=O)n1Cc(cc1)ccc1F

InChI

InChI=1S/C21H21F2N3O/c1-15-13-25-20(26(15)14-16-5-7-18(22)8-6-16)9-10-24-21(27)12-17-3-2-4-19(23)11-17/h2-8,11,13H,9-10,12,14H2,1H3,(H,24,27)

InChI Key

NPCPZHMPVPSGMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29016417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.814

Distribution Coefficient, logD

2.262

Water Solubility, LogSw

-3.08

Polar Surface Area

36.441

Acid Dissociation Constant (pKa)

14.22

Base Dissociation Constant (pKb)

7.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

T161-0996 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Others

References: we are preparing a list of scientific research reports with T161-0996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T161-0996?
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What is the minimum amount of T161-0996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T161-0996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T161-0996
  • 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 T161-0996 available by request