E470-1399 Screening compound: methyl 2-(4-acetyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)benzoate

E470-1399 Screening compound: methyl 2-(4-acetyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)benzoate
E470-1399 Screening compound: methyl 2-(4-acetyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E470-1399
methyl 2-(4-acetyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)benzoate

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

E470-1399

Molecular Formula

C19H20N2O6S (C19 H20 N2 O6 S)

Compound Name

methyl 2-(4-acetyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)benzoate

IUPAC name

methyl 2-(4-acetyl-6-methyl-34-dihydro-2H-14-benzoxazine-7-sulfonamido)benzoate

SMILES

CC(N(CCOc1c2)c1cc(C)c2S(Nc(cccc1)c1C(OC)=O)(=O)=O)=O

InChI

InChI=1S/C19H20N2O6S/c1-12-10-16-17(27-9-8-21(16)13(2)22)11-18(12)28(24,25)20-15-7-5-4-6-14(15)19(23)26-3/h4-7,10-11,20H,8-9H2,1-3H3

InChI Key

UOAKMFYWHSHLJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14855043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.448

Distribution Coefficient, logD

0.615

Water Solubility, LogSw

-2.95

Polar Surface Area

85.368

Acid Dissociation Constant (pKa)

5.57

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

E470-1399 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E470-1399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E470-1399?
Check Price and Availability of E470-1399, 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 E470-1399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E470-1399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E470-1399
  • 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 E470-1399 available by request