S606-1906 Screening compound: 1-(cyclohexylmethyl)-3-[(3R)-1-(4-pyridazinylcarbonyl)tetrahydro-1H-pyrrol-3-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

S606-1906 Screening compound: 1-(cyclohexylmethyl)-3-[(3R)-1-(4-pyridazinylcarbonyl)tetrahydro-1H-pyrrol-3-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
S606-1906 Screening compound: 1-(cyclohexylmethyl)-3-[(3R)-1-(4-pyridazinylcarbonyl)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 S606-1906
1-(cyclohexylmethyl)-3-[(3R)-1-(4-pyridazinylcarbonyl)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

S606-1906

Molecular Formula

C22H26N6O2 (C22 H26 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cnncc1)N(CC1)C[C@@H]1N(c(nccc1)c1N1CC2CCCCC2)C1=O

InChI

InChI=1S/C22H26N6O2/c29-21(17-8-11-24-25-13-17)26-12-9-18(15-26)28-20-19(7-4-10-23-20)27(22(28)30)14-16-5-2-1-3-6-16/h4,7-8,10-11,13,16,18H,1-3,5-6,9,12,14-15H2/t18-/m1/s1

InChI Key

WSURVTCAZMFYBA-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.966

Distribution Coefficient, logD

1.966

Water Solubility, LogSw

-1.97

Polar Surface Area

67.862

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S606-1906 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 S606-1906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-1906?
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What is the minimum amount of S606-1906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-1906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-1906
  • 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 S606-1906 available by request