E015-0450 Screening compound: 4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)-4-oxobutanamide

E015-0450 Screening compound: 4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)-4-oxobutanamide
E015-0450 Screening compound: 4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-0450
4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)-4-oxobutanamide

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

E015-0450

Molecular Formula

C16H21ClN2O4 (C16 H21 ClN2 O4)

Compound Name

4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)-4-oxobutanamide

IUPAC name

4-(6-chloro-2-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-N-(2-methoxyethyl)-4-oxobutanamide

SMILES

CC(C1)Oc(ccc(Cl)c2)c2N1C(CCC(NCCOC)=O)=O

InChI

InChI=1S/C16H21ClN2O4/c1-11-10-19(13-9-12(17)3-4-14(13)23-11)16(21)6-5-15(20)18-7-8-22-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,20)/t11-/m1/s1

InChI Key

FPKHODCWWQNMIL-LLVKDONJSA-N

MDL Number (MFCD)

MFCD14838159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.409

Distribution Coefficient, logD

1.409

Water Solubility, LogSw

-2.66

Polar Surface Area

54.999

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

E015-0450 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E015-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-0450?
Check Price and Availability of E015-0450, 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 E015-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-0450
  • 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 E015-0450 available by request