S605-0162 Screening compound: 3-(1-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}pyrrolidin-3-yl)-1-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one

S605-0162 Screening compound: 3-(1-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}pyrrolidin-3-yl)-1-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one
S605-0162 Screening compound: 3-(1-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}pyrrolidin-3-yl)-1-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S605-0162
3-(1-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}pyrrolidin-3-yl)-1-methyl-1H,2H,3H-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

S605-0162

Molecular Formula

C22H25N7O3 (C22 H25 N7 O3)

Compound Name

3-(1-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}pyrrolidin-3-yl)-1-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one

IUPAC name

3-[(3S)-1-{4-[(35-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-12-oxazole-3-carbonyl}pyrrolidin-3-yl]-1-methyl-1H2H3H-imidazo[45-b]pyridin-2-one

SMILES

Cc1cc(C)nn1Cc1c(C)onc1C(N(CC1)C[C@H]1N(c(nccc1)c1N1C)C1=O)=O

InChI

InChI=1S/C22H25N7O3/c1-13-10-14(2)28(24-13)12-17-15(3)32-25-19(17)21(30)27-9-7-16(11-27)29-20-18(6-5-8-23-20)26(4)22(29)31/h5-6,8,10,16H,7,9,11-12H2,1-4H3/t16-/m0/s1

InChI Key

MNKOTBYAIVOABV-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.883

Distribution Coefficient, logD

0.883

Water Solubility, LogSw

-1.52

Polar Surface Area

80.161

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

S605-0162 in Drug Discovery

Included in Screening Libraries

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S605-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S605-0162?
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What is the minimum amount of S605-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S605-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S605-0162
  • 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 S605-0162 available by request