S606-1244 Screening compound: 1-ethyl-3-[(3R)-1-(4-pyrimidinylcarbonyl)tetrahydro-1H-pyrrol-3-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

S606-1244 Screening compound: 1-ethyl-3-[(3R)-1-(4-pyrimidinylcarbonyl)tetrahydro-1H-pyrrol-3-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
S606-1244 Screening compound: 1-ethyl-3-[(3R)-1-(4-pyrimidinylcarbonyl)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 S606-1244
1-ethyl-3-[(3R)-1-(4-pyrimidinylcarbonyl)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

S606-1244

Molecular Formula

C17H18N6O2 (C17 H18 N6 O2)

Compound Name

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

IUPAC name

1-ethyl-3-[(3R)-1-(pyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H2H3H-imidazo[45-b]pyridin-2-one

SMILES

CCN(c1c(N2[C@H](CC3)CN3C(c3ncncc3)=O)nccc1)C2=O

InChI

InChI=1S/C17H18N6O2/c1-2-22-14-4-3-7-19-15(14)23(17(22)25)12-6-9-21(10-12)16(24)13-5-8-18-11-20-13/h3-5,7-8,11-12H,2,6,9-10H2,1H3/t12-/m1/s1

InChI Key

FGGLUVJAVGHUOB-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.37

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

0.688

Distribution Coefficient, logD

0.688

Water Solubility, LogSw

-0.94

Polar Surface Area

64.343

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.29

S606-1244 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 S606-1244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-1244?
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What is the minimum amount of S606-1244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-1244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-1244
  • 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 S606-1244 available by request