V016-9220 Screening compound: 4-chloro-N-{4-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide

V016-9220 Screening compound: 4-chloro-N-{4-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
V016-9220 Screening compound: 4-chloro-N-{4-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9220
4-chloro-N-{4-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide

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

V016-9220

Molecular Formula

C26H25ClN2O5 (C26 H25 ClN2 O5)

Compound Name

4-chloro-N-{4-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide

IUPAC name

4-chloro-N-{4-[(24-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}benzamide

SMILES

CC(C(N(Cc(ccc(OC)c1)c1OC)C1)=O)Oc(cc2)c1cc2NC(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C26H25ClN2O5/c1-16-26(31)29(14-18-6-10-22(32-2)13-24(18)33-3)15-19-12-21(9-11-23(19)34-16)28-25(30)17-4-7-20(27)8-5-17/h4-13,16H,14-15H2,1-3H3,(H,28,30)/t16-/m1/s1

InChI Key

FBKXTJDQCVZLGJ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD19854577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.713

Distribution Coefficient, logD

4.712

Water Solubility, LogSw

-4.93

Polar Surface Area

62.846

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with V016-9220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9220?
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What is the minimum amount of V016-9220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9220
  • 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 V016-9220 available by request