V003-7422 Screening compound: 4-chloro-N-{2-ethyl-4-[(3-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide

V003-7422 Screening compound: 4-chloro-N-{2-ethyl-4-[(3-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
V003-7422 Screening compound: 4-chloro-N-{2-ethyl-4-[(3-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-7422
4-chloro-N-{2-ethyl-4-[(3-methoxyphenyl)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

V003-7422

Molecular Formula

C26H25ClN2O4 (C26 H25 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(N(Cc1cc(OC)ccc1)C1)=O)Oc(cc2)c1cc2NC(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C26H25ClN2O4/c1-3-23-26(31)29(15-17-5-4-6-22(13-17)32-2)16-19-14-21(11-12-24(19)33-23)28-25(30)18-7-9-20(27)10-8-18/h4-14,23H,3,15-16H2,1-2H3,(H,28,30)/t23-/m1/s1

InChI Key

NXMSXTLJILDQNK-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19854272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.187

Distribution Coefficient, logD

5.185

Water Solubility, LogSw

-5.76

Polar Surface Area

55.410

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 V003-7422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-7422?
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What is the minimum amount of V003-7422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-7422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-7422
  • 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 V003-7422 available by request