S606-1233 Screening compound: 3-{(3R)-1-[(5-bromo-3-pyridyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}-1-ethyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

S606-1233 Screening compound: 3-{(3R)-1-[(5-bromo-3-pyridyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}-1-ethyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
S606-1233 Screening compound: 3-{(3R)-1-[(5-bromo-3-pyridyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}-1-ethyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S606-1233
3-{(3R)-1-[(5-bromo-3-pyridyl)carbonyl]tetrahydro-1H-pyrrol-3-yl}-1-ethyl-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

S606-1233

Molecular Formula

C18H18BrN5O2 (C18 H18 BrN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN(c1cccnc1N1[C@H](CC2)CN2C(c2cc(Br)cnc2)=O)C1=O

InChI

InChI=1S/C18H18BrN5O2/c1-2-23-15-4-3-6-21-16(15)24(18(23)26)14-5-7-22(11-14)17(25)12-8-13(19)10-20-9-12/h3-4,6,8-10,14H,2,5,7,11H2,1H3/t14-/m0/s1

InChI Key

MAVULIPZWBJXEO-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.132

Distribution Coefficient, logD

2.132

Water Solubility, LogSw

-2.11

Polar Surface Area

53.760

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

S606-1233 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 S606-1233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-1233?
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What is the minimum amount of S606-1233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-1233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-1233
  • 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 S606-1233 available by request