E015-0789 Screening compound: 4-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

E015-0789 Screening compound: 4-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
E015-0789 Screening compound: 4-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-0789
4-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]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

E015-0789

Molecular Formula

C22H27N3O5S (C22 H27 N3 O5 S)

Compound Name

4-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

IUPAC name

4-(26-dimethyl-34-dihydro-2H-14-benzoxazin-4-yl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

SMILES

CC(C1)Oc(ccc(C)c2)c2N1C(CCC(NCCc(cc1)ccc1S(N)(=O)=O)=O)=O

InChI

InChI=1S/C22H27N3O5S/c1-15-3-8-20-19(13-15)25(14-16(2)30-20)22(27)10-9-21(26)24-12-11-17-4-6-18(7-5-17)31(23,28)29/h3-8,13,16H,9-12,14H2,1-2H3,(H,24,26)(H2,23,28,29)/t16-/m1/s1

InChI Key

MTFJOFFCLKNTMR-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14838236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.086

Distribution Coefficient, logD

1.085

Water Solubility, LogSw

-2.36

Polar Surface Area

96.988

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

E015-0789 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E015-0789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-0789?
Check Price and Availability of E015-0789, 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 E015-0789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-0789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-0789
  • 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 E015-0789 available by request