E002-1713 Screening compound: N-cyclopentyl-3-(4-fluorobenzyl)-4-oxo-3,4-dihydro-1'H-spiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide

E002-1713 Screening compound: N-cyclopentyl-3-(4-fluorobenzyl)-4-oxo-3,4-dihydro-1'H-spiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide
E002-1713 Screening compound: N-cyclopentyl-3-(4-fluorobenzyl)-4-oxo-3,4-dihydro-1'H-spiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-1713
N-cyclopentyl-3-(4-fluorobenzyl)-4-oxo-3,4-dihydro-1'H-spiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide

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

E002-1713

Molecular Formula

C25H28FN3O3 (C25 H28 FN3 O3)

Compound Name

N-cyclopentyl-3-(4-fluorobenzyl)-4-oxo-3,4-dihydro-1'H-spiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide

IUPAC name

n/a

SMILES

O=C(NC1CCCC1)N(CC1)CCC1(N1Cc(cc2)ccc2F)Oc(cccc2)c2C1=O

InChI

InChI=1S/C25H28FN3O3/c26-19-11-9-18(10-12-19)17-29-23(30)21-7-3-4-8-22(21)32-25(29)13-15-28(16-14-25)24(31)27-20-5-1-2-6-20/h3-4,7-12,20H,1-2,5-6,13-17H2,(H,27,31)

InChI Key

NJKNNQUWOIROAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.167

Distribution Coefficient, logD

4.167

Water Solubility, LogSw

-4.34

Polar Surface Area

48.336

Acid Dissociation Constant (pKa)

17.65

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

E002-1713 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E002-1713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1713?
Check Price and Availability of E002-1713, 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 E002-1713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1713
  • 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 E002-1713 available by request