V023-1198 Screening compound: N~1~-[4-(2,3-dimethoxybenzyl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-(2-thienyl)acetamide

V023-1198 Screening compound: N~1~-[4-(2,3-dimethoxybenzyl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-(2-thienyl)acetamide
V023-1198 Screening compound: N~1~-[4-(2,3-dimethoxybenzyl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-(2-thienyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-1198
N~1~-[4-(2,3-dimethoxybenzyl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-(2-thienyl)acetamide

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

V023-1198

Molecular Formula

C24H24N2O5S (C24 H24 N2 O5 S)

Compound Name

N~1~-[4-(2,3-dimethoxybenzyl)-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-(2-thienyl)acetamide

IUPAC name

n/a

SMILES

COc1cccc(CN(Cc(cc(cc2)NC(Cc3cccs3)=O)c2OC2)C2=O)c1OC

InChI

InChI=1S/C24H24N2O5S/c1-29-21-7-3-5-16(24(21)30-2)13-26-14-17-11-18(8-9-20(17)31-15-23(26)28)25-22(27)12-19-6-4-10-32-19/h3-11H,12-15H2,1-2H3,(H,25,27)

InChI Key

HXOQYLWMXGSSIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19854558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.692

Distribution Coefficient, logD

2.692

Water Solubility, LogSw

-3.19

Polar Surface Area

64.821

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V023-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-1198?
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What is the minimum amount of V023-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-1198
  • 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 V023-1198 available by request