S056-0607 Screening compound: 1-ethyl-N~3~-{1-[(6-propoxy-3-pyridyl)methyl]tetrahydro-1H-pyrrol-3-yl}-1H-pyrazole-3-carboxamide

S056-0607 Screening compound: 1-ethyl-N~3~-{1-[(6-propoxy-3-pyridyl)methyl]tetrahydro-1H-pyrrol-3-yl}-1H-pyrazole-3-carboxamide
S056-0607 Screening compound: 1-ethyl-N~3~-{1-[(6-propoxy-3-pyridyl)methyl]tetrahydro-1H-pyrrol-3-yl}-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S056-0607
1-ethyl-N~3~-{1-[(6-propoxy-3-pyridyl)methyl]tetrahydro-1H-pyrrol-3-yl}-1H-pyrazole-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

S056-0607

Molecular Formula

C19H27N5O2 (C19 H27 N5 O2)

Compound Name

1-ethyl-N~3~-{1-[(6-propoxy-3-pyridyl)methyl]tetrahydro-1H-pyrrol-3-yl}-1H-pyrazole-3-carboxamide

IUPAC name

1-ethyl-N-{1-[(6-propoxypyridin-3-yl)methyl]pyrrolidin-3-yl}-1H-pyrazole-3-carboxamide

SMILES

CCCOc1ncc(CN(CC2)CC2NC(c2nn(CC)cc2)=O)cc1

InChI

InChI=1S/C19H27N5O2/c1-3-11-26-18-6-5-15(12-20-18)13-23-9-7-16(14-23)21-19(25)17-8-10-24(4-2)22-17/h5-6,8,10,12,16H,3-4,7,9,11,13-14H2,1-2H3,(H,21,25)/t16-/m0/s1

InChI Key

SYUMCYVNEPPNBU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29030748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.685

Distribution Coefficient, logD

1.340

Water Solubility, LogSw

-2.13

Polar Surface Area

59.058

Acid Dissociation Constant (pKa)

14.58

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

S056-0607 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
Mechanism of action:
  • PPI modulators
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with S056-0607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S056-0607?
Check Price and Availability of S056-0607, 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 S056-0607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S056-0607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S056-0607
  • 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 S056-0607 available by request