V012-5761 Screening compound: N-cyclohexyl-2-{6-[2-(4-methoxyphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide

V012-5761 Screening compound: N-cyclohexyl-2-{6-[2-(4-methoxyphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide
V012-5761 Screening compound: N-cyclohexyl-2-{6-[2-(4-methoxyphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-5761
N-cyclohexyl-2-{6-[2-(4-methoxyphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}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

V012-5761

Molecular Formula

C25H28N2O6 (C25 H28 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1OCC(c(cc1)cc(N2CC(NC3CCCCC3)=O)c1OCC2=O)=O

InChI

InChI=1S/C25H28N2O6/c1-31-19-8-10-20(11-9-19)32-15-22(28)17-7-12-23-21(13-17)27(25(30)16-33-23)14-24(29)26-18-5-3-2-4-6-18/h7-13,18H,2-6,14-16H2,1H3,(H,26,29)

InChI Key

CKJDQSNMPVAAIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19891716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.099

Distribution Coefficient, logD

3.099

Water Solubility, LogSw

-3.45

Polar Surface Area

76.283

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with V012-5761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-5761?
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What is the minimum amount of V012-5761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-5761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-5761
  • 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 V012-5761 available by request