V017-6700 Screening compound: N-butyl-5-({6-[2-(3,5-dimethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)furan-2-carboxamide

V017-6700 Screening compound: N-butyl-5-({6-[2-(3,5-dimethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)furan-2-carboxamide
V017-6700 Screening compound: N-butyl-5-({6-[2-(3,5-dimethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-6700
N-butyl-5-({6-[2-(3,5-dimethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)furan-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

V017-6700

Molecular Formula

C28H30N2O6 (C28 H30 N2 O6)

Compound Name

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

IUPAC name

N-butyl-5-({6-[2-(35-dimethylphenoxy)acetyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}methyl)furan-2-carboxamide

SMILES

CCCCNC(c1ccc(CN2c(cc(cc3)C(COc4cc(C)cc(C)c4)=O)c3OCC2=O)o1)=O

InChI

InChI=1S/C28H30N2O6/c1-4-5-10-29-28(33)26-9-7-21(36-26)15-30-23-14-20(6-8-25(23)35-17-27(30)32)24(31)16-34-22-12-18(2)11-19(3)13-22/h6-9,11-14H,4-5,10,15-17H2,1-3H3,(H,29,33)

InChI Key

FYSXGOOVWXPPOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19890114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.610

Distribution Coefficient, logD

4.610

Water Solubility, LogSw

-4.44

Polar Surface Area

76.910

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with V017-6700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-6700?
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What is the minimum amount of V017-6700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-6700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-6700
  • 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 V017-6700 available by request