S606-1248 Screening compound: 1-ethyl-3-[(3R)-1-(2-phenoxyacetyl)tetrahydro-1H-pyrrol-3-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

S606-1248 Screening compound: 1-ethyl-3-[(3R)-1-(2-phenoxyacetyl)tetrahydro-1H-pyrrol-3-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
S606-1248 Screening compound: 1-ethyl-3-[(3R)-1-(2-phenoxyacetyl)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 S606-1248
1-ethyl-3-[(3R)-1-(2-phenoxyacetyl)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

S606-1248

Molecular Formula

C20H22N4O3 (C20 H22 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(c1c(N2[C@H](CC3)CN3C(COc3ccccc3)=O)nccc1)C2=O

InChI

InChI=1S/C20H22N4O3/c1-2-23-17-9-6-11-21-19(17)24(20(23)26)15-10-12-22(13-15)18(25)14-27-16-7-4-3-5-8-16/h3-9,11,15H,2,10,12-14H2,1H3/t15-/m1/s1

InChI Key

NQYWDSVKIQCTHO-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.986

Distribution Coefficient, logD

1.986

Water Solubility, LogSw

-1.89

Polar Surface Area

51.125

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

S606-1248 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S606-1248 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of S606-1248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-1248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-1248
  • 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 S606-1248 available by request