T161-1128 Screening compound: 3-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}ethyl)-1-[(4-methylphenyl)methyl]urea

T161-1128 Screening compound: 3-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}ethyl)-1-[(4-methylphenyl)methyl]urea
T161-1128 Screening compound: 3-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}ethyl)-1-[(4-methylphenyl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T161-1128
3-(2-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}ethyl)-1-[(4-methylphenyl)methyl]urea

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

T161-1128

Molecular Formula

C22H25FN4O (C22 H25 FN4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cnc(CCNC(NCc2ccc(C)cc2)=O)n1Cc(cc1)ccc1F

InChI

InChI=1S/C22H25FN4O/c1-16-3-5-18(6-4-16)14-26-22(28)24-12-11-21-25-13-17(2)27(21)15-19-7-9-20(23)10-8-19/h3-10,13H,11-12,14-15H2,1-2H3,(H2,24,26,28)

InChI Key

VMFJZKVRRBTOIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29015697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.035

Distribution Coefficient, logD

2.709

Water Solubility, LogSw

-3.07

Polar Surface Area

47.188

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

7.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

T161-1128 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T161-1128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T161-1128?
Check Price and Availability of T161-1128, 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 T161-1128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T161-1128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T161-1128
  • 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 T161-1128 available by request