T158-1297 Screening compound: 3-(1-benzyl-5-methyl-1H-imidazol-2-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide

T158-1297 Screening compound: 3-(1-benzyl-5-methyl-1H-imidazol-2-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
T158-1297 Screening compound: 3-(1-benzyl-5-methyl-1H-imidazol-2-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T158-1297
3-(1-benzyl-5-methyl-1H-imidazol-2-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide

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

T158-1297

Molecular Formula

C24H28N4O2 (C24 H28 N4 O2)

Compound Name

3-(1-benzyl-5-methyl-1H-imidazol-2-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide

IUPAC name

3-(1-benzyl-5-methyl-1H-imidazol-2-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide

SMILES

CCOc(cccc1)c1NC(N(CC1)CC1c1ncc(C)n1Cc1ccccc1)=O

InChI

InChI=1S/C24H28N4O2/c1-3-30-22-12-8-7-11-21(22)26-24(29)27-14-13-20(17-27)23-25-15-18(2)28(23)16-19-9-5-4-6-10-19/h4-12,15,20H,3,13-14,16-17H2,1-2H3,(H,26,29)/t20-/m1/s1

InChI Key

HRLBEHXYDDVGHP-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD31972843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.493

Distribution Coefficient, logD

4.207

Water Solubility, LogSw

-4.08

Polar Surface Area

43.433

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

T158-1297 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T158-1297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T158-1297?
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What is the minimum amount of T158-1297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T158-1297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T158-1297
  • 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 T158-1297 available by request