K906-1945 Screening compound: N-{1-[4-(4-acetylphenyl)piperazin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

K906-1945 Screening compound: N-{1-[4-(4-acetylphenyl)piperazin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
K906-1945 Screening compound: N-{1-[4-(4-acetylphenyl)piperazin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-1945
N-{1-[4-(4-acetylphenyl)piperazin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

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

K906-1945

Molecular Formula

C25H30N4O6S2 (C25 H30 N4 O6 S2)

Compound Name

N-{1-[4-(4-acetylphenyl)piperazin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

IUPAC name

N-{1-[4-(4-acetylphenyl)piperazin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl}-3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

CC(c(cc1)ccc1N(CC1)CCN1C(C(CCSC)NS(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O)=O)=O

InChI

InChI=1S/C25H30N4O6S2/c1-17(30)18-4-6-19(7-5-18)28-11-13-29(14-12-28)24(31)21(10-15-36-3)26-37(33,34)20-8-9-22-23(16-20)35-25(32)27(22)2/h4-9,16,21,26H,10-15H2,1-3H3/t21-/m0/s1

InChI Key

YSZPSCDLAQCYAK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15112605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.67

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.147

Distribution Coefficient, logD

2.146

Water Solubility, LogSw

-2.92

Polar Surface Area

98.713

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

K906-1945 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 K906-1945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-1945?
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What is the minimum amount of K906-1945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-1945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-1945
  • 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 K906-1945 available by request