V018-1874 Screening compound: 2-{6-[2-(3,5-dimethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide

V018-1874 Screening compound: 2-{6-[2-(3,5-dimethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
V018-1874 Screening compound: 2-{6-[2-(3,5-dimethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-1874
2-{6-[2-(3,5-dimethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide

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

V018-1874

Molecular Formula

C26H31N3O5 (C26 H31 N3 O5)

Compound Name

2-{6-[2-(3,5-dimethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide

IUPAC name

2-{6-[2-(35-dimethylphenoxy)acetyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide

SMILES

Cc1cc(OCC(c(cc2)cc(N3CC(NCCN4CCCC4)=O)c2OCC3=O)=O)cc(C)c1

InChI

InChI=1S/C26H31N3O5/c1-18-11-19(2)13-21(12-18)33-16-23(30)20-5-6-24-22(14-20)29(26(32)17-34-24)15-25(31)27-7-10-28-8-3-4-9-28/h5-6,11-14H,3-4,7-10,15-17H2,1-2H3,(H,27,31)

InChI Key

FQLFRSBAJXVXFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19891573

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.435

Distribution Coefficient, logD

0.496

Water Solubility, LogSw

-2.94

Polar Surface Area

73.204

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

9.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

References: we are preparing a list of scientific research reports with V018-1874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-1874?
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What is the minimum amount of V018-1874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-1874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-1874
  • 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 V018-1874 available by request