E667-1236 Screening compound: N-(3,4-dimethoxyphenyl)-3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanamide

E667-1236 Screening compound: N-(3,4-dimethoxyphenyl)-3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanamide
E667-1236 Screening compound: N-(3,4-dimethoxyphenyl)-3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-1236
N-(3,4-dimethoxyphenyl)-3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]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

E667-1236

Molecular Formula

C21H24N2O7S (C21 H24 N2 O7 S)

Compound Name

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

IUPAC name

N-(34-dimethoxyphenyl)-3-[(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]butanamide

SMILES

CC(CC(Nc(cc1)cc(OC)c1OC)=O)S(c(cc1OC2)c(C)cc1NC2=O)(=O)=O

InChI

InChI=1S/C21H24N2O7S/c1-12-7-15-17(30-11-21(25)23-15)10-19(12)31(26,27)13(2)8-20(24)22-14-5-6-16(28-3)18(9-14)29-4/h5-7,9-10,13H,8,11H2,1-4H3,(H,22,24)(H,23,25)/t13-/m0/s1

InChI Key

BAROPIODURICPR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14909104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.438

Distribution Coefficient, logD

1.438

Water Solubility, LogSw

-2.43

Polar Surface Area

101.420

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E667-1236 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with E667-1236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-1236?
Check Price and Availability of E667-1236, 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 E667-1236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-1236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-1236
  • 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 E667-1236 available by request