E015-1649 Screening compound: ethyl 4-[4-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamido]benzoate

E015-1649 Screening compound: ethyl 4-[4-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamido]benzoate
E015-1649 Screening compound: ethyl 4-[4-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-1649
ethyl 4-[4-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamido]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

E015-1649

Molecular Formula

C21H22N2O5 (C21 H22 N2 O5)

Compound Name

ethyl 4-[4-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamido]benzoate

IUPAC name

ethyl 4-[4-(34-dihydro-2H-14-benzoxazin-4-yl)-4-oxobutanamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(CCC(N1c(cccc2)c2OCC1)=O)=O)=O

InChI

InChI=1S/C21H22N2O5/c1-2-27-21(26)15-7-9-16(10-8-15)22-19(24)11-12-20(25)23-13-14-28-18-6-4-3-5-17(18)23/h3-10H,2,11-14H2,1H3,(H,22,24)

InChI Key

RPIJQBAZNNYXQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.963

Distribution Coefficient, logD

2.962

Water Solubility, LogSw

-3.51

Polar Surface Area

66.878

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E015-1649 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E015-1649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-1649?
Check Price and Availability of E015-1649, 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 E015-1649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-1649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-1649
  • 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 E015-1649 available by request