V018-5759 Screening compound: 2-{6-[2-(3-methylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[(pyridin-2-yl)methyl]propanamide

V018-5759 Screening compound: 2-{6-[2-(3-methylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[(pyridin-2-yl)methyl]propanamide
V018-5759 Screening compound: 2-{6-[2-(3-methylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[(pyridin-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5759
2-{6-[2-(3-methylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[(pyridin-2-yl)methyl]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

V018-5759

Molecular Formula

C26H25N3O5 (C26 H25 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NCc1ncccc1)=O)N1c(cc(cc2)C(COc3cc(C)ccc3)=O)c2OCC1=O

InChI

InChI=1S/C26H25N3O5/c1-17-6-5-8-21(12-17)33-15-23(30)19-9-10-24-22(13-19)29(25(31)16-34-24)18(2)26(32)28-14-20-7-3-4-11-27-20/h3-13,18H,14-16H2,1-2H3,(H,28,32)/t18-/m0/s1

InChI Key

LZBHQQUTRAAJEH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19890571

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

459.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.194

Distribution Coefficient, logD

2.193

Water Solubility, LogSw

-2.70

Polar Surface Area

78.112

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with V018-5759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5759?
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What is the minimum amount of V018-5759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5759
  • 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 V018-5759 available by request