S606-1655 Screening compound: 3-[(3R)-1-(3,4-difluorobenzoyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

S606-1655 Screening compound: 3-[(3R)-1-(3,4-difluorobenzoyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
S606-1655 Screening compound: 3-[(3R)-1-(3,4-difluorobenzoyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S606-1655
3-[(3R)-1-(3,4-difluorobenzoyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-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

S606-1655

Molecular Formula

C18H16F2N4O2 (C18 H16 F2 N4 O2)

Compound Name

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

IUPAC name

3-[(3R)-1-(34-difluorobenzoyl)pyrrolidin-3-yl]-1-methyl-1H2H3H-imidazo[45-b]pyridin-2-one

SMILES

CN(c1cccnc1N1[C@H](CC2)CN2C(c(cc2)cc(F)c2F)=O)C1=O

InChI

InChI=1S/C18H16F2N4O2/c1-22-15-3-2-7-21-16(15)24(18(22)26)12-6-8-23(10-12)17(25)11-4-5-13(19)14(20)9-11/h2-5,7,9,12H,6,8,10H2,1H3/t12-/m0/s1

InChI Key

KYEWBZPSRNGGTN-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.976

Distribution Coefficient, logD

1.976

Water Solubility, LogSw

-2.26

Polar Surface Area

44.194

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

S606-1655 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 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 S606-1655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S606-1655?
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What is the minimum amount of S606-1655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S606-1655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S606-1655
  • 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 S606-1655 available by request