S751-0381 Screening compound: N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide

S751-0381 Screening compound: N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
S751-0381 Screening compound: N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S751-0381
N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-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

S751-0381

Molecular Formula

C20H30N4O2 (C20 H30 N4 O2)

Compound Name

N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide

IUPAC name

N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-(3-methoxypropyl)-25-dimethyl-1H-pyrrole-3-carboxamide

SMILES

Cc1cc(C(NCCn2c(C3CC3)ncc2C)=O)c(C)n1CCCOC

InChI

InChI=1S/C20H30N4O2/c1-14-12-18(16(3)23(14)9-5-11-26-4)20(25)21-8-10-24-15(2)13-22-19(24)17-6-7-17/h12-13,17H,5-11H2,1-4H3,(H,21,25)

InChI Key

NRWDSGYFVPLVHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.405

Distribution Coefficient, logD

-1.086

Water Solubility, LogSw

-2.70

Polar Surface Area

46.693

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

10.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

S751-0381 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S751-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S751-0381?
Check Price and Availability of S751-0381, 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 S751-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S751-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S751-0381
  • 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 S751-0381 available by request