V005-9737 Screening compound: N-benzyl-5-({6-[2-(2-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-N-methylfuran-2-carboxamide

V005-9737 Screening compound: N-benzyl-5-({6-[2-(2-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-N-methylfuran-2-carboxamide
V005-9737 Screening compound: N-benzyl-5-({6-[2-(2-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-N-methylfuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-9737
N-benzyl-5-({6-[2-(2-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-N-methylfuran-2-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

V005-9737

Molecular Formula

C30H25FN2O6 (C30 H25 FN2 O6)

Compound Name

N-benzyl-5-({6-[2-(2-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-N-methylfuran-2-carboxamide

IUPAC name

N-benzyl-5-({6-[2-(2-fluorophenoxy)acetyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}methyl)-N-methylfuran-2-carboxamide

SMILES

CN(Cc1ccccc1)C(c1ccc(CN2c(cc(cc3)C(COc(cccc4)c4F)=O)c3OCC2=O)o1)=O

InChI

InChI=1S/C30H25FN2O6/c1-32(16-20-7-3-2-4-8-20)30(36)28-14-12-22(39-28)17-33-24-15-21(11-13-27(24)38-19-29(33)35)25(34)18-37-26-10-6-5-9-23(26)31/h2-15H,16-19H2,1H3

InChI Key

OBAZRCFRGYBSAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19890300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.395

Distribution Coefficient, logD

4.395

Water Solubility, LogSw

-4.51

Polar Surface Area

68.621

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V005-9737 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V005-9737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-9737?
Check Price and Availability of V005-9737, 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 V005-9737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-9737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-9737
  • 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 V005-9737 available by request