8013-8378 Screening compound: (4-ethoxyphenyl)(4-morpholino-3-nitrophenyl)methanone

8013-8378 Screening compound: (4-ethoxyphenyl)(4-morpholino-3-nitrophenyl)methanone
8013-8378 Screening compound: (4-ethoxyphenyl)(4-morpholino-3-nitrophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-8378
(4-ethoxyphenyl)(4-morpholino-3-nitrophenyl)methanone

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

8013-8378

Molecular Formula

C19H20N2O5 (C19 H20 N2 O5)

Compound Name

(4-ethoxyphenyl)(4-morpholino-3-nitrophenyl)methanone

IUPAC name

4-[4-(4-ethoxybenzoyl)-2-nitrophenyl]morpholine

SMILES

CCOc(cc1)ccc1C(c(cc1)cc([N+]([O-])=O)c1N1CCOCC1)=O

InChI

InChI=1S/C19H20N2O5/c1-2-26-16-6-3-14(4-7-16)19(22)15-5-8-17(18(13-15)21(23)24)20-9-11-25-12-10-20/h3-8,13H,2,9-12H2,1H3

InChI Key

JWXIBUNOWGNLPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02919648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.457

Distribution Coefficient, logD

3.457

Water Solubility, LogSw

-3.80

Polar Surface Area

64.970

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

8013-8378 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 8013-8378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-8378?
Check Price and Availability of 8013-8378, 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 8013-8378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-8378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-8378
  • 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 8013-8378 available by request