E015-0140 Screening compound: 4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[(oxolan-2-yl)methyl]butanamide

E015-0140 Screening compound: 4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[(oxolan-2-yl)methyl]butanamide
E015-0140 Screening compound: 4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[(oxolan-2-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-0140
4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxo-N-[(oxolan-2-yl)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

E015-0140

Molecular Formula

C17H21ClN2O4 (C17 H21 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC(N1c(cc(cc2)Cl)c2OCC1)=O)NCC1OCCC1

InChI

InChI=1S/C17H21ClN2O4/c18-12-3-4-15-14(10-12)20(7-9-24-15)17(22)6-5-16(21)19-11-13-2-1-8-23-13/h3-4,10,13H,1-2,5-9,11H2,(H,19,21)/t13-/m1/s1

InChI Key

WFDNFGLBJOSCIN-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14838094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.132

Distribution Coefficient, logD

1.132

Water Solubility, LogSw

-2.66

Polar Surface Area

56.101

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

E015-0140 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E015-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-0140?
Check Price and Availability of E015-0140, 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 E015-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-0140
  • 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 E015-0140 available by request