S729-0251 Screening compound: 3-(2-hydroxyethyl)-N~3~-[(5-methyl-2-furyl)methyl]-1-(2-pyrimidinyl)-3-pyrrolidinecarboxamide

S729-0251 Screening compound: 3-(2-hydroxyethyl)-N~3~-[(5-methyl-2-furyl)methyl]-1-(2-pyrimidinyl)-3-pyrrolidinecarboxamide
S729-0251 Screening compound: 3-(2-hydroxyethyl)-N~3~-[(5-methyl-2-furyl)methyl]-1-(2-pyrimidinyl)-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S729-0251
3-(2-hydroxyethyl)-N~3~-[(5-methyl-2-furyl)methyl]-1-(2-pyrimidinyl)-3-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

S729-0251

Molecular Formula

C17H22N4O3 (C17 H22 N4 O3)

Compound Name

3-(2-hydroxyethyl)-N~3~-[(5-methyl-2-furyl)methyl]-1-(2-pyrimidinyl)-3-pyrrolidinecarboxamide

IUPAC name

n/a

SMILES

Cc1ccc(CNC(C(CCO)(CC2)CN2c2ncccn2)=O)o1

InChI

InChI=1S/C17H22N4O3/c1-13-3-4-14(24-13)11-20-15(23)17(6-10-22)5-9-21(12-17)16-18-7-2-8-19-16/h2-4,7-8,22H,5-6,9-12H2,1H3,(H,20,23)/t17-/m1/s1

InChI Key

CPQLMMHEAFSHLA-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD29016147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.566

Distribution Coefficient, logD

1.566

Water Solubility, LogSw

-2.01

Polar Surface Area

70.684

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

S729-0251 in Drug Discovery

Included in Screening Libraries

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 S729-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S729-0251?
Check Price and Availability of S729-0251, 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 S729-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S729-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S729-0251
  • 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 S729-0251 available by request