V022-6088 Screening compound: 2-{6-[2-(3-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-(1-phenylethyl)propanamide

V022-6088 Screening compound: 2-{6-[2-(3-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-(1-phenylethyl)propanamide
V022-6088 Screening compound: 2-{6-[2-(3-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-(1-phenylethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-6088
2-{6-[2-(3-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-(1-phenylethyl)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

V022-6088

Molecular Formula

C27H25FN2O5 (C27 H25 FN2 O5)

Compound Name

2-{6-[2-(3-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-(1-phenylethyl)propanamide

IUPAC name

2-{6-[2-(3-fluorophenoxy)acetyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}-N-(1-phenylethyl)propanamide

SMILES

CC(C(NC(C)c1ccccc1)=O)N1c(cc(cc2)C(COc3cccc(F)c3)=O)c2OCC1=O

InChI

InChI=1S/C27H25FN2O5/c1-17(19-7-4-3-5-8-19)29-27(33)18(2)30-23-13-20(11-12-25(23)35-16-26(30)32)24(31)15-34-22-10-6-9-21(28)14-22/h3-14,17-18H,15-16H2,1-2H3,(H,29,33)

InChI Key

KLFYSHLWLZORPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19890670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.254

Distribution Coefficient, logD

3.254

Water Solubility, LogSw

-3.64

Polar Surface Area

67.732

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with V022-6088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-6088?
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What is the minimum amount of V022-6088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-6088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-6088
  • 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 V022-6088 available by request