T158-0770 Screening compound: N-(2-fluorophenyl)-3-(1-isopropyl-5-methyl-1H-imidazol-2-yl)-1-pyrrolidinecarboxamide

T158-0770 Screening compound: N-(2-fluorophenyl)-3-(1-isopropyl-5-methyl-1H-imidazol-2-yl)-1-pyrrolidinecarboxamide
T158-0770 Screening compound: N-(2-fluorophenyl)-3-(1-isopropyl-5-methyl-1H-imidazol-2-yl)-1-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T158-0770
N-(2-fluorophenyl)-3-(1-isopropyl-5-methyl-1H-imidazol-2-yl)-1-pyrrolidinecarboxamide

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

T158-0770

Molecular Formula

C18H23FN4O (C18 H23 FN4 O)

Compound Name

N-(2-fluorophenyl)-3-(1-isopropyl-5-methyl-1H-imidazol-2-yl)-1-pyrrolidinecarboxamide

IUPAC name

N-(2-fluorophenyl)-3-[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxamide

SMILES

CC(C)n1c(C(CC2)CN2C(Nc(cccc2)c2F)=O)ncc1C

InChI

InChI=1S/C18H23FN4O/c1-12(2)23-13(3)10-20-17(23)14-8-9-22(11-14)18(24)21-16-7-5-4-6-15(16)19/h4-7,10,12,14H,8-9,11H2,1-3H3,(H,21,24)/t14-/m1/s1

InChI Key

SPTJGSYSBPPOIU-CQSZACIVSA-N

MDL Number (MFCD)

MFCD29016292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.191

Distribution Coefficient, logD

1.222

Water Solubility, LogSw

-3.08

Polar Surface Area

37.569

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

9.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

T158-0770 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T158-0770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T158-0770?
Check Price and Availability of T158-0770, 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 T158-0770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T158-0770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T158-0770
  • 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 T158-0770 available by request