S606-1238 Screening compound: 1-ethyl-3-{(3R)-1-[(5-methyl-2-pyrazinyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

S606-1238 Screening compound: 1-ethyl-3-{(3R)-1-[(5-methyl-2-pyrazinyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
S606-1238 Screening compound: 1-ethyl-3-{(3R)-1-[(5-methyl-2-pyrazinyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S606-1238
1-ethyl-3-{(3R)-1-[(5-methyl-2-pyrazinyl)carbonyl]tetrahydro-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

S606-1238

Molecular Formula

C18H20N6O2 (C18 H20 N6 O2)

Compound Name

1-ethyl-3-{(3R)-1-[(5-methyl-2-pyrazinyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

IUPAC name

1-ethyl-3-[(3R)-1-(5-methylpyrazine-2-carbonyl)pyrrolidin-3-yl]-1H2H3H-imidazo[45-b]pyridin-2-one

SMILES

CCN(c1c(N2[C@H](CC3)CN3C(c3ncc(C)nc3)=O)nccc1)C2=O

InChI

InChI=1S/C18H20N6O2/c1-3-23-15-5-4-7-19-16(15)24(18(23)26)13-6-8-22(11-13)17(25)14-10-20-12(2)9-21-14/h4-5,7,9-10,13H,3,6,8,11H2,1-2H3/t13-/m1/s1

InChI Key

YIFOTEGXHTWRPZ-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.083

Distribution Coefficient, logD

1.083

Water Solubility, LogSw

-1.42

Polar Surface Area

62.234

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

S606-1238 in Drug Discovery

Included in Screening Libraries

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S606-1238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-1238?
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What is the minimum amount of S606-1238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-1238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-1238
  • 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 S606-1238 available by request