V012-8297 Screening compound: N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide

V012-8297 Screening compound: N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide
V012-8297 Screening compound: N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-8297
N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide

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

V012-8297

Molecular Formula

C29H30N2O5 (C29 H30 N2 O5)

Compound Name

N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide

IUPAC name

N-{4-[(2H-13-benzodioxol-5-yl)methyl]-2-ethyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}-2-phenylbutanamide

SMILES

CCC(C(Nc(cc1)cc(CN2Cc(cc3)cc4c3OCO4)c1OC(CC)C2=O)=O)c1ccccc1

InChI

InChI=1S/C29H30N2O5/c1-3-23(20-8-6-5-7-9-20)28(32)30-22-11-13-25-21(15-22)17-31(29(33)24(4-2)36-25)16-19-10-12-26-27(14-19)35-18-34-26/h5-15,23-24H,3-4,16-18H2,1-2H3,(H,30,32)

InChI Key

HDMRPMLWDIRNHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19849222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.275

Distribution Coefficient, logD

5.275

Water Solubility, LogSw

-5.16

Polar Surface Area

64.982

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.03

References: we are preparing a list of scientific research reports with V012-8297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-8297?
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What is the minimum amount of V012-8297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-8297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-8297
  • 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 V012-8297 available by request