E667-1123 Screening compound: N-(3,4-dimethylphenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]butanamide

E667-1123 Screening compound: N-(3,4-dimethylphenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]butanamide
E667-1123 Screening compound: N-(3,4-dimethylphenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-1123
N-(3,4-dimethylphenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-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

E667-1123

Molecular Formula

C20H22N2O5S (C20 H22 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC(Nc1cc(C)c(C)cc1)=O)S(c(cc1)cc(N2)c1OCC2=O)(=O)=O

InChI

InChI=1S/C20H22N2O5S/c1-12-4-5-15(8-13(12)2)21-19(23)9-14(3)28(25,26)16-6-7-18-17(10-16)22-20(24)11-27-18/h4-8,10,14H,9,11H2,1-3H3,(H,21,23)(H,22,24)/t14-/m0/s1

InChI Key

FSRHXWNOXDHZEZ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14909068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.47

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

2.536

Distribution Coefficient, logD

2.536

Water Solubility, LogSw

-2.99

Polar Surface Area

86.159

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

E667-1123 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with E667-1123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-1123?
Check Price and Availability of E667-1123, 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 E667-1123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-1123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-1123
  • 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 E667-1123 available by request