V008-4682 Screening compound: ethyl 1-(4-{6-[2-(3,4-dimethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}butanoyl)piperidine-3-carboxylate

V008-4682 Screening compound: ethyl 1-(4-{6-[2-(3,4-dimethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}butanoyl)piperidine-3-carboxylate
V008-4682 Screening compound: ethyl 1-(4-{6-[2-(3,4-dimethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}butanoyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4682
ethyl 1-(4-{6-[2-(3,4-dimethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}butanoyl)piperidine-3-carboxylate

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

V008-4682

Molecular Formula

C30H36N2O7 (C30 H36 N2 O7)

Compound Name

ethyl 1-(4-{6-[2-(3,4-dimethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}butanoyl)piperidine-3-carboxylate

IUPAC name

ethyl 1-(4-{6-[2-(34-dimethylphenoxy)acetyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}butanoyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(CCCN1c(cc(cc2)C(COc3cc(C)c(C)cc3)=O)c2OCC1=O)=O)=O

InChI

InChI=1S/C30H36N2O7/c1-4-37-30(36)23-7-5-13-31(17-23)28(34)8-6-14-32-25-16-22(10-12-27(25)39-19-29(32)35)26(33)18-38-24-11-9-20(2)21(3)15-24/h9-12,15-16,23H,4-8,13-14,17-19H2,1-3H3/t23-/m0/s1

InChI Key

LQAOTURZUFUMOE-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19891292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.397

Distribution Coefficient, logD

3.397

Water Solubility, LogSw

-3.73

Polar Surface Area

81.601

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

References: we are preparing a list of scientific research reports with V008-4682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4682?
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What is the minimum amount of V008-4682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4682
  • 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 V008-4682 available by request