C612-0386 Screening compound: 6-benzyl-7-[4-(piperidinosulfonyl)anilino]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one

C612-0386 Screening compound: 6-benzyl-7-[4-(piperidinosulfonyl)anilino]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
C612-0386 Screening compound: 6-benzyl-7-[4-(piperidinosulfonyl)anilino]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0386
6-benzyl-7-[4-(piperidinosulfonyl)anilino]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-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

C612-0386

Molecular Formula

C25H26N4O3S (C25 H26 N4 O3 S)

Compound Name

6-benzyl-7-[4-(piperidinosulfonyl)anilino]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one

IUPAC name

n/a

SMILES

O=C(c1cccnc11)N(Cc2ccccc2)C1Nc(cc1)ccc1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C25H26N4O3S/c30-25-22-10-7-15-26-23(22)24(29(25)18-19-8-3-1-4-9-19)27-20-11-13-21(14-12-20)33(31,32)28-16-5-2-6-17-28/h1,3-4,7-15,24,27H,2,5-6,16-18H2/t24-/m0/s1

InChI Key

UBVUVXPICSECCJ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14775565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.721

Distribution Coefficient, logD

3.721

Water Solubility, LogSw

-4.04

Polar Surface Area

66.622

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

C612-0386 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C612-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0386?
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What is the minimum amount of C612-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0386
  • 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 C612-0386 available by request