T158-1529 Screening compound: N-cyclohexyl-3-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}pyrrolidine-1-carboxamide

T158-1529 Screening compound: N-cyclohexyl-3-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}pyrrolidine-1-carboxamide
T158-1529 Screening compound: N-cyclohexyl-3-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T158-1529
N-cyclohexyl-3-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}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

T158-1529

Molecular Formula

C22H29FN4O (C22 H29 FN4 O)

Compound Name

N-cyclohexyl-3-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}pyrrolidine-1-carboxamide

IUPAC name

N-cyclohexyl-3-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazol-2-yl}pyrrolidine-1-carboxamide

SMILES

Cc1cnc(C(CC2)CN2C(NC2CCCCC2)=O)n1Cc(cc1)ccc1F

InChI

InChI=1S/C22H29FN4O/c1-16-13-24-21(27(16)14-17-7-9-19(23)10-8-17)18-11-12-26(15-18)22(28)25-20-5-3-2-4-6-20/h7-10,13,18,20H,2-6,11-12,14-15H2,1H3,(H,25,28)/t18-/m0/s1

InChI Key

BRUCAWSNCDSHGZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31978446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.277

Distribution Coefficient, logD

3.992

Water Solubility, LogSw

-3.99

Polar Surface Area

37.968

Acid Dissociation Constant (pKa)

16.89

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

T158-1529 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 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 T158-1529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T158-1529?
Check Price and Availability of T158-1529, 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 T158-1529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T158-1529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T158-1529
  • 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 T158-1529 available by request