V022-5461 Screening compound: N-[2-(diethylamino)ethyl]-2-{6-[2-(4-fluoro-2-methylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}propanamide

V022-5461 Screening compound: N-[2-(diethylamino)ethyl]-2-{6-[2-(4-fluoro-2-methylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}propanamide
V022-5461 Screening compound: N-[2-(diethylamino)ethyl]-2-{6-[2-(4-fluoro-2-methylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-5461
N-[2-(diethylamino)ethyl]-2-{6-[2-(4-fluoro-2-methylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}propanamide

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

V022-5461

Molecular Formula

C26H32FN3O5 (C26 H32 FN3 O5)

Compound Name

N-[2-(diethylamino)ethyl]-2-{6-[2-(4-fluoro-2-methylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}propanamide

IUPAC name

N-[2-(diethylamino)ethyl]-2-{6-[2-(4-fluoro-2-methylphenoxy)acetyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}propanamide

SMILES

CCN(CC)CCNC(C(C)N1c(cc(cc2)C(COc(cc3)c(C)cc3F)=O)c2OCC1=O)=O

InChI

InChI=1S/C26H32FN3O5/c1-5-29(6-2)12-11-28-26(33)18(4)30-21-14-19(7-9-24(21)35-16-25(30)32)22(31)15-34-23-10-8-20(27)13-17(23)3/h7-10,13-14,18H,5-6,11-12,15-16H2,1-4H3,(H,28,33)/t18-/m0/s1

InChI Key

CUBXHSDURSFTBN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19890751

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

485.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.729

Distribution Coefficient, logD

1.014

Water Solubility, LogSw

-3.07

Polar Surface Area

72.179

Acid Dissociation Constant (pKa)

13.53

Base Dissociation Constant (pKb)

9.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

V022-5461 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V022-5461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-5461?
Check Price and Availability of V022-5461, 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 V022-5461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-5461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-5461
  • 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 V022-5461 available by request