V013-7563 Screening compound: 4-[3-oxo-6-(2-phenoxyacetyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(tetrahydro-2-furanylmethyl)butanamide

V013-7563 Screening compound: 4-[3-oxo-6-(2-phenoxyacetyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(tetrahydro-2-furanylmethyl)butanamide
V013-7563 Screening compound: 4-[3-oxo-6-(2-phenoxyacetyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(tetrahydro-2-furanylmethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-7563
4-[3-oxo-6-(2-phenoxyacetyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(tetrahydro-2-furanylmethyl)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

V013-7563

Molecular Formula

C25H28N2O6 (C25 H28 N2 O6)

Compound Name

4-[3-oxo-6-(2-phenoxyacetyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-(tetrahydro-2-furanylmethyl)butanamide

IUPAC name

4-[3-oxo-6-(2-phenoxyacetyl)-34-dihydro-2H-14-benzoxazin-4-yl]-N-[(oxolan-2-yl)methyl]butanamide

SMILES

O=C(COc1ccccc1)c(cc1)cc(N2CCCC(NCC3OCCC3)=O)c1OCC2=O

InChI

InChI=1S/C25H28N2O6/c28-22(16-32-19-6-2-1-3-7-19)18-10-11-23-21(14-18)27(25(30)17-33-23)12-4-9-24(29)26-15-20-8-5-13-31-20/h1-3,6-7,10-11,14,20H,4-5,8-9,12-13,15-17H2,(H,26,29)/t20-/m1/s1

InChI Key

DDHATQZOUNJYDD-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14491560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.102

Distribution Coefficient, logD

1.102

Water Solubility, LogSw

-2.11

Polar Surface Area

77.647

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V013-7563 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V013-7563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-7563?
Check Price and Availability of V013-7563, 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 V013-7563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-7563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-7563
  • 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 V013-7563 available by request