S606-0834 Screening compound: 3-{(3R)-1-[(1,2-dimethyl-5-phenyl-1H-pyrrol-3-yl)carbonyl]tetrahydro-1H-pyrrol-3-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

S606-0834 Screening compound: 3-{(3R)-1-[(1,2-dimethyl-5-phenyl-1H-pyrrol-3-yl)carbonyl]tetrahydro-1H-pyrrol-3-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
S606-0834 Screening compound: 3-{(3R)-1-[(1,2-dimethyl-5-phenyl-1H-pyrrol-3-yl)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 S606-0834
3-{(3R)-1-[(1,2-dimethyl-5-phenyl-1H-pyrrol-3-yl)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

S606-0834

Molecular Formula

C23H23N5O2 (C23 H23 N5 O2)

Compound Name

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

IUPAC name

3-[(3R)-1-(12-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]-1H2H3H-imidazo[45-b]pyridin-2-one

SMILES

Cc(n(C)c(-c1ccccc1)c1)c1C(N(CC1)C[C@@H]1N(c(nccc1)c1N1)C1=O)=O

InChI

InChI=1S/C23H23N5O2/c1-15-18(13-20(26(15)2)16-7-4-3-5-8-16)22(29)27-12-10-17(14-27)28-21-19(25-23(28)30)9-6-11-24-21/h3-9,11,13,17H,10,12,14H2,1-2H3,(H,25,30)/t17-/m1/s1

InChI Key

JTLRGAXDRMCHDS-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.076

Distribution Coefficient, logD

3.076

Water Solubility, LogSw

-3.37

Polar Surface Area

55.131

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.09

S606-0834 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with S606-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-0834?
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What is the minimum amount of S606-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-0834
  • 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 S606-0834 available by request