K906-1804 Screening compound: N-(1-benzylpiperidin-4-yl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide

K906-1804 Screening compound: N-(1-benzylpiperidin-4-yl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide
K906-1804 Screening compound: N-(1-benzylpiperidin-4-yl)-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 K906-1804
N-(1-benzylpiperidin-4-yl)-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

K906-1804

Molecular Formula

C25H32N4O5S2 (C25 H32 N4 O5 S2)

Compound Name

N-(1-benzylpiperidin-4-yl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-2-(3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamido)-4-(methylsulfanyl)butanamide

SMILES

CN(c(ccc(S(NC(CCSC)C(NC1CCN(Cc2ccccc2)CC1)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C25H32N4O5S2/c1-28-22-9-8-20(16-23(22)34-25(28)31)36(32,33)27-21(12-15-35-2)24(30)26-19-10-13-29(14-11-19)17-18-6-4-3-5-7-18/h3-9,16,19,21,27H,10-15,17H2,1-2H3,(H,26,30)/t21-/m0/s1

InChI Key

VZYWQJPDTSQJTK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15112508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.69

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

2.796

Distribution Coefficient, logD

1.238

Water Solubility, LogSw

-3.55

Polar Surface Area

92.657

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

K906-1804 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 K906-1804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-1804?
Check Price and Availability of K906-1804, 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 K906-1804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-1804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-1804
  • 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 K906-1804 available by request