V018-2734 Screening compound: N-cyclohexyl-4-{6-[2-(2-methylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}butanamide

V018-2734 Screening compound: N-cyclohexyl-4-{6-[2-(2-methylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}butanamide
V018-2734 Screening compound: N-cyclohexyl-4-{6-[2-(2-methylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-2734
N-cyclohexyl-4-{6-[2-(2-methylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}butanamide

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

V018-2734

Molecular Formula

C27H32N2O5 (C27 H32 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1OCC(c(cc1)cc(N2CCCC(NC3CCCCC3)=O)c1OCC2=O)=O

InChI

InChI=1S/C27H32N2O5/c1-19-8-5-6-11-24(19)33-17-23(30)20-13-14-25-22(16-20)29(27(32)18-34-25)15-7-12-26(31)28-21-9-3-2-4-10-21/h5-6,8,11,13-14,16,21H,2-4,7,9-10,12,15,17-18H2,1H3,(H,28,31)

InChI Key

ZAGQKQRERAFIHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19891345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.494

Distribution Coefficient, logD

3.494

Water Solubility, LogSw

-3.88

Polar Surface Area

68.805

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with V018-2734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-2734?
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What is the minimum amount of V018-2734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-2734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-2734
  • 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 V018-2734 available by request