K906-4066 Screening compound: 3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-(4-methylcyclohexyl)propanamide

K906-4066 Screening compound: 3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-(4-methylcyclohexyl)propanamide
K906-4066 Screening compound: 3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-(4-methylcyclohexyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-4066
3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-(4-methylcyclohexyl)propanamide

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

K906-4066

Molecular Formula

C19H26N2O5S (C19 H26 N2 O5 S)

Compound Name

3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-(4-methylcyclohexyl)propanamide

IUPAC name

3-[(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]-N-(4-methylcyclohexyl)propanamide

SMILES

CC(CC1)CCC1NC(CCS(c(cc1OC2)c(C)cc1NC2=O)(=O)=O)=O

InChI

InChI=1S/C19H26N2O5S/c1-12-3-5-14(6-4-12)20-18(22)7-8-27(24,25)17-10-16-15(9-13(17)2)21-19(23)11-26-16/h9-10,12,14H,3-8,11H2,1-2H3,(H,20,22)(H,21,23)

InChI Key

JDYAHNXHKWTINO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.422

Distribution Coefficient, logD

2.422

Water Solubility, LogSw

-2.72

Polar Surface Area

86.470

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

K906-4066 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with K906-4066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-4066?
Check Price and Availability of K906-4066, 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 K906-4066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-4066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-4066
  • 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 K906-4066 available by request