V016-8421 Screening compound: N-{4-[(2,3-DIMETHOXYPHENYL)METHYL]-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL}-3,4-DIMETHOXYBENZAMIDE

V016-8421 Screening compound: N-{4-[(2,3-DIMETHOXYPHENYL)METHYL]-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL}-3,4-DIMETHOXYBENZAMIDE
V016-8421 Screening compound: N-{4-[(2,3-DIMETHOXYPHENYL)METHYL]-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL}-3,4-DIMETHOXYBENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8421
N-{4-[(2,3-DIMETHOXYPHENYL)METHYL]-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL}-3,4-DIMETHOXYBENZAMIDE

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

V016-8421

Molecular Formula

C27H28N2O7 (C27 H28 N2 O7)

Compound Name

N-{4-[(2,3-DIMETHOXYPHENYL)METHYL]-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL}-3,4-DIMETHOXYBENZAMIDE

IUPAC name

N-{4-[(23-dimethoxyphenyl)methyl]-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}-34-dimethoxybenzamide

SMILES

COc(ccc(C(Nc(cc1)cc(CN2Cc(cccc3OC)c3OC)c1OCC2=O)=O)c1)c1OC

InChI

InChI=1S/C27H28N2O7/c1-32-22-10-8-17(13-24(22)34-3)27(31)28-20-9-11-21-19(12-20)15-29(25(30)16-36-21)14-18-6-5-7-23(33-2)26(18)35-4/h5-13H,14-16H2,1-4H3,(H,28,31)

InChI Key

NIVCHWMYZUUUCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19854560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.903

Distribution Coefficient, logD

2.903

Water Solubility, LogSw

-3.47

Polar Surface Area

79.277

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V016-8421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8421?
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What is the minimum amount of V016-8421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8421
  • 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 V016-8421 available by request