V023-3665 Screening compound: N-{2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-methoxyacetamide

V023-3665 Screening compound: N-{2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-methoxyacetamide
V023-3665 Screening compound: N-{2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-3665
N-{2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-methoxyacetamide

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

V023-3665

Molecular Formula

C21H23FN2O4 (C21 H23 FN2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(N(Cc(cc1)ccc1F)C1)=O)Oc(cc2)c1cc2NC(COC)=O

InChI

InChI=1S/C21H23FN2O4/c1-3-18-21(26)24(11-14-4-6-16(22)7-5-14)12-15-10-17(8-9-19(15)28-18)23-20(25)13-27-2/h4-10,18H,3,11-13H2,1-2H3,(H,23,25)

InChI Key

WAAOTAOXPRBHAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19849333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.42

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

2.895

Distribution Coefficient, logD

2.895

Water Solubility, LogSw

-3.29

Polar Surface Area

56.348

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

V023-3665 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V023-3665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-3665?
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What is the minimum amount of V023-3665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-3665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-3665
  • 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 V023-3665 available by request