V018-9661 Screening compound: 5-({6-[2-(2,5-dimethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-N-ethyl-N-methylfuran-2-carboxamide

V018-9661 Screening compound: 5-({6-[2-(2,5-dimethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-N-ethyl-N-methylfuran-2-carboxamide
V018-9661 Screening compound: 5-({6-[2-(2,5-dimethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-N-ethyl-N-methylfuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-9661
5-({6-[2-(2,5-dimethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-N-ethyl-N-methylfuran-2-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

V018-9661

Molecular Formula

C27H28N2O6 (C27 H28 N2 O6)

Compound Name

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

IUPAC name

5-({6-[2-(25-dimethylphenoxy)acetyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}methyl)-N-ethyl-N-methylfuran-2-carboxamide

SMILES

CCN(C)C(c1ccc(CN2c(cc(cc3)C(COc4c(C)ccc(C)c4)=O)c3OCC2=O)o1)=O

InChI

InChI=1S/C27H28N2O6/c1-5-28(4)27(32)24-11-9-20(35-24)14-29-21-13-19(8-10-23(21)34-16-26(29)31)22(30)15-33-25-12-17(2)6-7-18(25)3/h6-13H,5,14-16H2,1-4H3

InChI Key

CIILWLQSHSCMJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19890357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.872

Distribution Coefficient, logD

3.872

Water Solubility, LogSw

-4.09

Polar Surface Area

68.618

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

V018-9661 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with V018-9661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-9661?
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What is the minimum amount of V018-9661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-9661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-9661
  • 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 V018-9661 available by request