S606-0268 Screening compound: 3-[(3R)-1-(3-cyclopentylpropanoyl)tetrahydro-1H-pyrrol-3-yl]-1-(cyclopropylmethyl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

S606-0268 Screening compound: 3-[(3R)-1-(3-cyclopentylpropanoyl)tetrahydro-1H-pyrrol-3-yl]-1-(cyclopropylmethyl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
S606-0268 Screening compound: 3-[(3R)-1-(3-cyclopentylpropanoyl)tetrahydro-1H-pyrrol-3-yl]-1-(cyclopropylmethyl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S606-0268
3-[(3R)-1-(3-cyclopentylpropanoyl)tetrahydro-1H-pyrrol-3-yl]-1-(cyclopropylmethyl)-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

S606-0268

Molecular Formula

C22H30N4O2 (C22 H30 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC1CCCC1)N(CC1)C[C@@H]1N(c(nccc1)c1N1CC2CC2)C1=O

InChI

InChI=1S/C22H30N4O2/c27-20(10-9-16-4-1-2-5-16)24-13-11-18(15-24)26-21-19(6-3-12-23-21)25(22(26)28)14-17-7-8-17/h3,6,12,16-18H,1-2,4-5,7-11,13-15H2/t18-/m1/s1

InChI Key

VZSCWOAKJDVMLD-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.366

Distribution Coefficient, logD

3.366

Water Solubility, LogSw

-3.63

Polar Surface Area

44.710

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

S606-0268 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 S606-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-0268?
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What is the minimum amount of S606-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-0268
  • 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 S606-0268 available by request