E015-0604 Screening compound: 4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide

E015-0604 Screening compound: 4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide
E015-0604 Screening compound: 4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-0604
4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]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

E015-0604

Molecular Formula

C23H27ClN2O4 (C23 H27 ClN2 O4)

Compound Name

4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide

IUPAC name

4-(6-chloro-2-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide

SMILES

CCCOc1ccc(CNC(CCC(N2c(cc(cc3)Cl)c3OC(C)C2)=O)=O)cc1

InChI

InChI=1S/C23H27ClN2O4/c1-3-12-29-19-7-4-17(5-8-19)14-25-22(27)10-11-23(28)26-15-16(2)30-21-9-6-18(24)13-20(21)26/h4-9,13,16H,3,10-12,14-15H2,1-2H3,(H,25,27)/t16-/m1/s1

InChI Key

AHGIHAOYMAUODO-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14838178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.035

Distribution Coefficient, logD

4.035

Water Solubility, LogSw

-4.36

Polar Surface Area

53.962

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

E015-0604 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 E015-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-0604?
Check Price and Availability of E015-0604, 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 E015-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-0604
  • 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 E015-0604 available by request