S632-0867 Screening compound: N-methyl-1-(3-methyl-1H-pyrazole-5-carbonyl)-4-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide

S632-0867 Screening compound: N-methyl-1-(3-methyl-1H-pyrazole-5-carbonyl)-4-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide
S632-0867 Screening compound: N-methyl-1-(3-methyl-1H-pyrazole-5-carbonyl)-4-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-0867
N-methyl-1-(3-methyl-1H-pyrazole-5-carbonyl)-4-(1-methylpiperidin-4-yl)pyrrolidine-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

S632-0867

Molecular Formula

C17H27N5O2 (C17 H27 N5 O2)

Compound Name

N-methyl-1-(3-methyl-1H-pyrazole-5-carbonyl)-4-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide

IUPAC name

(3S4S)-N-methyl-1-(3-methyl-1H-pyrazole-5-carbonyl)-4-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide

SMILES

Cc1n[nH]c(C(N(C[C@@H]2C3CCN(C)CC3)C[C@@H]2C(NC)=O)=O)c1

InChI

InChI=1S/C17H27N5O2/c1-11-8-15(20-19-11)17(24)22-9-13(14(10-22)16(23)18-2)12-4-6-21(3)7-5-12/h8,12-14H,4-7,9-10H2,1-3H3,(H,18,23)(H,19,20)/t13-,14+/m0/s1

InChI Key

FSWLIOJDSFCMTM-UONOGXRCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.229

Distribution Coefficient, logD

-1.582

Water Solubility, LogSw

-1.86

Polar Surface Area

67.920

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

8.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

70.59

S632-0867 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Soluble Diversity Library (15920 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S632-0867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-0867?
Check Price and Availability of S632-0867, 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 S632-0867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-0867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-0867
  • 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 S632-0867 available by request