V021-8081 Screening compound: N-(4-benzyl-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-2-methoxyacetamide

V021-8081 Screening compound: N-(4-benzyl-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-2-methoxyacetamide
V021-8081 Screening compound: N-(4-benzyl-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-8081
N-(4-benzyl-2-ethyl-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

V021-8081

Molecular Formula

C21H24N2O4 (C21 H24 N2 O4)

Compound Name

N-(4-benzyl-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-2-methoxyacetamide

IUPAC name

N-(4-benzyl-2-ethyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl)-2-methoxyacetamide

SMILES

CCC(C(N(Cc1ccccc1)C1)=O)Oc(cc2)c1cc2NC(COC)=O

InChI

InChI=1S/C21H24N2O4/c1-3-18-21(25)23(12-15-7-5-4-6-8-15)13-16-11-17(9-10-19(16)27-18)22-20(24)14-26-2/h4-11,18H,3,12-14H2,1-2H3,(H,22,24)/t18-/m0/s1

InChI Key

NWJJXQHASRRIHX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19848970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.43

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

2.866

Distribution Coefficient, logD

2.866

Water Solubility, LogSw

-3.36

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

References: we are preparing a list of scientific research reports with V021-8081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-8081?
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What is the minimum amount of V021-8081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-8081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-8081
  • 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 V021-8081 available by request