S751-0971 Screening compound: 1-cyclohexyl-N-{2-[5-methyl-2-(pyridin-4-yl)-1H-imidazol-1-yl]ethyl}-5-oxopyrrolidine-3-carboxamide

S751-0971 Screening compound: 1-cyclohexyl-N-{2-[5-methyl-2-(pyridin-4-yl)-1H-imidazol-1-yl]ethyl}-5-oxopyrrolidine-3-carboxamide
S751-0971 Screening compound: 1-cyclohexyl-N-{2-[5-methyl-2-(pyridin-4-yl)-1H-imidazol-1-yl]ethyl}-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S751-0971
1-cyclohexyl-N-{2-[5-methyl-2-(pyridin-4-yl)-1H-imidazol-1-yl]ethyl}-5-oxopyrrolidine-3-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

S751-0971

Molecular Formula

C22H29N5O2 (C22 H29 N5 O2)

Compound Name

1-cyclohexyl-N-{2-[5-methyl-2-(pyridin-4-yl)-1H-imidazol-1-yl]ethyl}-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-cyclohexyl-N-{2-[5-methyl-2-(pyridin-4-yl)-1H-imidazol-1-yl]ethyl}-5-oxopyrrolidine-3-carboxamide

SMILES

Cc1cnc(-c2ccncc2)n1CCNC(C(C1)CN(C2CCCCC2)C1=O)=O

InChI

InChI=1S/C22H29N5O2/c1-16-14-25-21(17-7-9-23-10-8-17)26(16)12-11-24-22(29)18-13-20(28)27(15-18)19-5-3-2-4-6-19/h7-10,14,18-19H,2-6,11-13,15H2,1H3,(H,24,29)/t18-/m1/s1

InChI Key

JNVIZHNVMCORHX-GOSISDBHSA-N

MDL Number (MFCD)

MFCD31967131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.804

Distribution Coefficient, logD

1.799

Water Solubility, LogSw

-1.58

Polar Surface Area

61.668

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

S751-0971 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S751-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S751-0971?
Check Price and Availability of S751-0971, 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 S751-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S751-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S751-0971
  • 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 S751-0971 available by request