E015-1275 Screening compound: ethyl 4-[4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamido]piperidine-1-carboxylate

E015-1275 Screening compound: ethyl 4-[4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamido]piperidine-1-carboxylate
E015-1275 Screening compound: ethyl 4-[4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-1275
ethyl 4-[4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamido]piperidine-1-carboxylate

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

E015-1275

Molecular Formula

C21H29N3O5 (C21 H29 N3 O5)

Compound Name

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

IUPAC name

ethyl 4-[4-(2-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-4-oxobutanamido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(CCC(N1c(cccc2)c2OC(C)C1)=O)=O)=O

InChI

InChI=1S/C21H29N3O5/c1-3-28-21(27)23-12-10-16(11-13-23)22-19(25)8-9-20(26)24-14-15(2)29-18-7-5-4-6-17(18)24/h4-7,15-16H,3,8-14H2,1-2H3,(H,22,25)/t15-/m1/s1

InChI Key

PZYQXHMRABYJLM-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14838365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.858

Distribution Coefficient, logD

1.858

Water Solubility, LogSw

-2.23

Polar Surface Area

69.049

Acid Dissociation Constant (pKa)

16.07

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

E015-1275 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E015-1275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-1275?
Check Price and Availability of E015-1275, 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 E015-1275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-1275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-1275
  • 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 E015-1275 available by request