S606-1022 Screening compound: 3-[(3R)-1-(cyclopropylmethyl)tetrahydro-1H-pyrrol-3-yl]-1-isobutyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

S606-1022 Screening compound: 3-[(3R)-1-(cyclopropylmethyl)tetrahydro-1H-pyrrol-3-yl]-1-isobutyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
S606-1022 Screening compound: 3-[(3R)-1-(cyclopropylmethyl)tetrahydro-1H-pyrrol-3-yl]-1-isobutyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S606-1022
3-[(3R)-1-(cyclopropylmethyl)tetrahydro-1H-pyrrol-3-yl]-1-isobutyl-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

S606-1022

Molecular Formula

C18H26N4O (C18 H26 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(c1c(N2[C@H]3CN(CC4CC4)CC3)nccc1)C2=O

InChI

InChI=1S/C18H26N4O/c1-13(2)10-21-16-4-3-8-19-17(16)22(18(21)23)15-7-9-20(12-15)11-14-5-6-14/h3-4,8,13-15H,5-7,9-12H2,1-2H3/t15-/m1/s1

InChI Key

SIIDMPAVWFSJGW-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.931

Distribution Coefficient, logD

-0.896

Water Solubility, LogSw

-3.18

Polar Surface Area

32.036

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

11.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S606-1022 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S606-1022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-1022?
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What is the minimum amount of S606-1022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-1022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-1022
  • 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 S606-1022 available by request