S606-0297 Screening compound: 1-(cyclopropylmethyl)-3-{(3R)-1-[(4-methoxyphenyl)sulfonyl]tetrahydro-1H-pyrrol-3-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

S606-0297 Screening compound: 1-(cyclopropylmethyl)-3-{(3R)-1-[(4-methoxyphenyl)sulfonyl]tetrahydro-1H-pyrrol-3-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
S606-0297 Screening compound: 1-(cyclopropylmethyl)-3-{(3R)-1-[(4-methoxyphenyl)sulfonyl]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 S606-0297
1-(cyclopropylmethyl)-3-{(3R)-1-[(4-methoxyphenyl)sulfonyl]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

S606-0297

Molecular Formula

C21H24N4O4S (C21 H24 N4 O4 S)

Compound Name

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

IUPAC name

1-(cyclopropylmethyl)-3-[(3R)-1-(4-methoxybenzenesulfonyl)pyrrolidin-3-yl]-1H2H3H-imidazo[45-b]pyridin-2-one

SMILES

COc(cc1)ccc1S(N(CC1)C[C@@H]1N(c1ncccc1N1CC2CC2)C1=O)(=O)=O

InChI

InChI=1S/C21H24N4O4S/c1-29-17-6-8-18(9-7-17)30(27,28)23-12-10-16(14-23)25-20-19(3-2-11-22-20)24(21(25)26)13-15-4-5-15/h2-3,6-9,11,15-16H,4-5,10,12-14H2,1H3/t16-/m0/s1

InChI Key

BELCQCIZVHWBQE-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.981

Distribution Coefficient, logD

2.981

Water Solubility, LogSw

-3.50

Polar Surface Area

67.286

Acid Dissociation Constant (pKa)

21.84

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

S606-0297 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 S606-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-0297?
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What is the minimum amount of S606-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-0297
  • 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 S606-0297 available by request