V017-4756 Screening compound: N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-methoxybenzamide

V017-4756 Screening compound: N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-methoxybenzamide
V017-4756 Screening compound: N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-4756
N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-methoxybenzamide

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

V017-4756

Molecular Formula

C25H23ClN2O4 (C25 H23 ClN2 O4)

Compound Name

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

IUPAC name

N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}-3-methoxybenzamide

SMILES

CC(C(N(Cc(cc1)ccc1Cl)C1)=O)Oc(cc2)c1cc2NC(c1cc(OC)ccc1)=O

InChI

InChI=1S/C25H23ClN2O4/c1-16-25(30)28(14-17-6-8-20(26)9-7-17)15-19-12-21(10-11-23(19)32-16)27-24(29)18-4-3-5-22(13-18)31-2/h3-13,16H,14-15H2,1-2H3,(H,27,29)/t16-/m0/s1

InChI Key

FATWXAOWPNTFCW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19849609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.539

Distribution Coefficient, logD

4.539

Water Solubility, LogSw

-4.83

Polar Surface Area

55.216

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with V017-4756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4756?
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What is the minimum amount of V017-4756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4756
  • 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 V017-4756 available by request