T161-0994 Screening compound: N-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}ethyl)cyclobutanecarboxamide

T161-0994 Screening compound: N-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}ethyl)cyclobutanecarboxamide
T161-0994 Screening compound: N-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}ethyl)cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T161-0994
N-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}ethyl)cyclobutanecarboxamide

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

T161-0994

Molecular Formula

C18H22FN3O (C18 H22 FN3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cnc(CCNC(C2CCC2)=O)n1Cc(cc1)ccc1F

InChI

InChI=1S/C18H22FN3O/c1-13-11-21-17(9-10-20-18(23)15-3-2-4-15)22(13)12-14-5-7-16(19)8-6-14/h5-8,11,15H,2-4,9-10,12H2,1H3,(H,20,23)

InChI Key

HSTFHIUJXFFZJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31989673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.816

Distribution Coefficient, logD

1.263

Water Solubility, LogSw

-2.11

Polar Surface Area

37.177

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

7.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

T161-0994 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T161-0994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T161-0994?
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What is the minimum amount of T161-0994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T161-0994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T161-0994
  • 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 T161-0994 available by request