K906-1846 Screening compound: N-[(2-methoxyphenyl)methyl]-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide

K906-1846 Screening compound: N-[(2-methoxyphenyl)methyl]-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide
K906-1846 Screening compound: N-[(2-methoxyphenyl)methyl]-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-1846
N-[(2-methoxyphenyl)methyl]-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide

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

K906-1846

Molecular Formula

C21H25N3O6S2 (C21 H25 N3 O6 S2)

Compound Name

N-[(2-methoxyphenyl)methyl]-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-2-(3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide

SMILES

CN(c(ccc(S(NC(CCSC)C(NCc(cccc1)c1OC)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C21H25N3O6S2/c1-24-17-9-8-15(12-19(17)30-21(24)26)32(27,28)23-16(10-11-31-3)20(25)22-13-14-6-4-5-7-18(14)29-2/h4-9,12,16,23H,10-11,13H2,1-3H3,(H,22,25)/t16-/m0/s1

InChI Key

MCIJVUXBMDFRGX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15112525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.218

Distribution Coefficient, logD

2.218

Water Solubility, LogSw

-2.91

Polar Surface Area

97.022

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

K906-1846 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K906-1846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-1846?
Check Price and Availability of K906-1846, 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 K906-1846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-1846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-1846
  • 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 K906-1846 available by request