S632-4314 Screening compound: N~1~-methyl-4-{1-[(4-methyl-3-pyridyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyridinecarboxamide

S632-4314 Screening compound: N~1~-methyl-4-{1-[(4-methyl-3-pyridyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyridinecarboxamide
S632-4314 Screening compound: N~1~-methyl-4-{1-[(4-methyl-3-pyridyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-4314
N~1~-methyl-4-{1-[(4-methyl-3-pyridyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyridinecarboxamide

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

S632-4314

Molecular Formula

C18H26N4O2 (C18 H26 N4 O2)

Compound Name

N~1~-methyl-4-{1-[(4-methyl-3-pyridyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

N-methyl-4-[1-(4-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide

SMILES

Cc(ccnc1)c1C(N(CC1)CC1C(CC1)CCN1C(NC)=O)=O

InChI

InChI=1S/C18H26N4O2/c1-13-3-7-20-11-16(13)17(23)22-10-6-15(12-22)14-4-8-21(9-5-14)18(24)19-2/h3,7,11,14-15H,4-6,8-10,12H2,1-2H3,(H,19,24)/t15-/m0/s1

InChI Key

NEAGOFUSBMEEDF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29012889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.259

Distribution Coefficient, logD

1.258

Water Solubility, LogSw

-1.50

Polar Surface Area

53.646

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

S632-4314 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S632-4314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-4314?
Check Price and Availability of S632-4314, 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 S632-4314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-4314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-4314
  • 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 S632-4314 available by request