V018-5762 Screening compound: 2-(6-{2-[3-methyl-4-(propan-2-yl)phenoxy]acetyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(oxolan-2-yl)methyl]acetamide

V018-5762 Screening compound: 2-(6-{2-[3-methyl-4-(propan-2-yl)phenoxy]acetyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(oxolan-2-yl)methyl]acetamide
V018-5762 Screening compound: 2-(6-{2-[3-methyl-4-(propan-2-yl)phenoxy]acetyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5762
2-(6-{2-[3-methyl-4-(propan-2-yl)phenoxy]acetyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(oxolan-2-yl)methyl]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

V018-5762

Molecular Formula

C27H32N2O6 (C27 H32 N2 O6)

Compound Name

2-(6-{2-[3-methyl-4-(propan-2-yl)phenoxy]acetyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-(6-{2-[3-methyl-4-(propan-2-yl)phenoxy]acetyl}-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)-N-[(oxolan-2-yl)methyl]acetamide

SMILES

CC(C)c(cc1)c(C)cc1OCC(c(cc1)cc(N2CC(NCC3OCCC3)=O)c1OCC2=O)=O

InChI

InChI=1S/C27H32N2O6/c1-17(2)22-8-7-20(11-18(22)3)34-15-24(30)19-6-9-25-23(12-19)29(27(32)16-35-25)14-26(31)28-13-21-5-4-10-33-21/h6-9,11-12,17,21H,4-5,10,13-16H2,1-3H3,(H,28,31)/t21-/m1/s1

InChI Key

NDEYYYNHGWEUCH-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19890949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.56

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

2.978

Distribution Coefficient, logD

2.978

Water Solubility, LogSw

-3.25

Polar Surface Area

77.669

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

V018-5762 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V018-5762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5762?
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What is the minimum amount of V018-5762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5762
  • 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 V018-5762 available by request