S632-4395 Screening compound: 4-{1-[2-(1-azepanyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide

S632-4395 Screening compound: 4-{1-[2-(1-azepanyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide
S632-4395 Screening compound: 4-{1-[2-(1-azepanyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S632-4395
4-{1-[2-(1-azepanyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N~1~-methyltetrahydro-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

S632-4395

Molecular Formula

C19H34N4O2 (C19 H34 N4 O2)

Compound Name

4-{1-[2-(1-azepanyl)acetyl]tetrahydro-1H-pyrrol-3-yl}-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

n/a

SMILES

CNC(N(CC1)CCC1C(CC1)CN1C(CN1CCCCCC1)=O)=O

InChI

InChI=1S/C19H34N4O2/c1-20-19(25)22-11-6-16(7-12-22)17-8-13-23(14-17)18(24)15-21-9-4-2-3-5-10-21/h16-17H,2-15H2,1H3,(H,20,25)/t17-/m0/s1

InChI Key

UMMOLPXHHQDTDC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29016757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.411

Distribution Coefficient, logD

-0.465

Water Solubility, LogSw

-1.87

Polar Surface Area

47.936

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

9.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

89.50

S632-4395 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 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

References: we are preparing a list of scientific research reports with S632-4395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S632-4395?
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What is the minimum amount of S632-4395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S632-4395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S632-4395
  • 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 S632-4395 available by request