K906-4716 Screening compound: 6-{[4-(3,4-dihydro-2H-1,4-benzoxazine-4-sulfonyl)phenyl]methyl}-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

K906-4716 Screening compound: 6-{[4-(3,4-dihydro-2H-1,4-benzoxazine-4-sulfonyl)phenyl]methyl}-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione
K906-4716 Screening compound: 6-{[4-(3,4-dihydro-2H-1,4-benzoxazine-4-sulfonyl)phenyl]methyl}-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-4716
6-{[4-(3,4-dihydro-2H-1,4-benzoxazine-4-sulfonyl)phenyl]methyl}-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

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

K906-4716

Molecular Formula

C22H17N3O5S (C22 H17 N3 O5 S)

Compound Name

6-{[4-(3,4-dihydro-2H-1,4-benzoxazine-4-sulfonyl)phenyl]methyl}-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

IUPAC name

6-{[4-(34-dihydro-2H-14-benzoxazine-4-sulfonyl)phenyl]methyl}-5H6H7H-pyrrolo[34-b]pyridine-57-dione

SMILES

O=C(c1c2nccc1)N(Cc(cc1)ccc1S(N1c(cccc3)c3OCC1)(=O)=O)C2=O

InChI

InChI=1S/C22H17N3O5S/c26-21-17-4-3-11-23-20(17)22(27)24(21)14-15-7-9-16(10-8-15)31(28,29)25-12-13-30-19-6-2-1-5-18(19)25/h1-11H,12-14H2

InChI Key

UJJRNYTYOAJRME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.754

Distribution Coefficient, logD

1.754

Water Solubility, LogSw

-2.83

Polar Surface Area

78.504

Acid Dissociation Constant (pKa)

26.53

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

K906-4716 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Neuropeptide S Library (2850 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K906-4716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-4716?
Check Price and Availability of K906-4716, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K906-4716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-4716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-4716
  • 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 K906-4716 available by request