S606-1176 Screening compound: 1-ethyl-3-[(3R)-1-isopentyltetrahydro-1H-pyrrol-3-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

S606-1176 Screening compound: 1-ethyl-3-[(3R)-1-isopentyltetrahydro-1H-pyrrol-3-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
S606-1176 Screening compound: 1-ethyl-3-[(3R)-1-isopentyltetrahydro-1H-pyrrol-3-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S606-1176
1-ethyl-3-[(3R)-1-isopentyltetrahydro-1H-pyrrol-3-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

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

S606-1176

Molecular Formula

C17H26N4O (C17 H26 N4 O)

Compound Name

1-ethyl-3-[(3R)-1-isopentyltetrahydro-1H-pyrrol-3-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

IUPAC name

1-ethyl-3-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]-1H2H3H-imidazo[45-b]pyridin-2-one

SMILES

CCN(c1c(N2[C@H]3CN(CCC(C)C)CC3)nccc1)C2=O

InChI

InChI=1S/C17H26N4O/c1-4-20-15-6-5-9-18-16(15)21(17(20)22)14-8-11-19(12-14)10-7-13(2)3/h5-6,9,13-14H,4,7-8,10-12H2,1-3H3/t14-/m1/s1

InChI Key

LYZMILQJTXQPRR-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.795

Distribution Coefficient, logD

0.328

Water Solubility, LogSw

-2.94

Polar Surface Area

31.487

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

9.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.71

S606-1176 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with S606-1176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-1176?
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What is the minimum amount of S606-1176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-1176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-1176
  • 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 S606-1176 available by request