V005-8897 Screening compound: 2-({6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide

V005-8897 Screening compound: 2-({6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
V005-8897 Screening compound: 2-({6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-8897
2-({6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-N-(2-methoxyethyl)-1,3-oxazole-4-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

V005-8897

Molecular Formula

C24H21F2N3O7 (C24 H21 F2 N3 O7)

Compound Name

2-({6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide

IUPAC name

2-({6-[2-(24-difluorophenoxy)acetyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}methyl)-N-(2-methoxyethyl)-13-oxazole-4-carboxamide

SMILES

COCCNC(c1coc(CN2c(cc(cc3)C(COc(ccc(F)c4)c4F)=O)c3OCC2=O)n1)=O

InChI

InChI=1S/C24H21F2N3O7/c1-33-7-6-27-24(32)17-11-36-22(28-17)10-29-18-8-14(2-4-21(18)35-13-23(29)31)19(30)12-34-20-5-3-15(25)9-16(20)26/h2-5,8-9,11H,6-7,10,12-13H2,1H3,(H,27,32)

InChI Key

KLSPGACWJPMMMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19890776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.831

Distribution Coefficient, logD

1.831

Water Solubility, LogSw

-2.33

Polar Surface Area

95.904

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V005-8897 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 V005-8897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-8897?
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What is the minimum amount of V005-8897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-8897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-8897
  • 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 V005-8897 available by request