E667-1408 Screening compound: 3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-(3-methylphenyl)butanamide

E667-1408 Screening compound: 3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-(3-methylphenyl)butanamide
E667-1408 Screening compound: 3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-(3-methylphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-1408
3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-(3-methylphenyl)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

E667-1408

Molecular Formula

C20H22N2O5S (C20 H22 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC(Nc1cc(C)ccc1)=O)S(c(cc1OC2)c(C)cc1NC2=O)(=O)=O

InChI

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

InChI Key

GUTJABDUWDBIBG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14909185

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

2.263

Distribution Coefficient, logD

2.263

Water Solubility, LogSw

-2.82

Polar Surface Area

86.159

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with E667-1408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-1408?
Check Price and Availability of E667-1408, 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 E667-1408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-1408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-1408
  • 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 E667-1408 available by request