V017-8622 Screening compound: N-(4-benzyl-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-3-fluorobenzamide

V017-8622 Screening compound: N-(4-benzyl-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-3-fluorobenzamide
V017-8622 Screening compound: N-(4-benzyl-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-8622
N-(4-benzyl-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-3-fluorobenzamide

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

V017-8622

Molecular Formula

C24H21FN2O3 (C24 H21 FN2 O3)

Compound Name

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

IUPAC name

N-(4-benzyl-2-methyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl)-3-fluorobenzamide

SMILES

CC(C(N(Cc1ccccc1)C1)=O)Oc(cc2)c1cc2NC(c1cccc(F)c1)=O

InChI

InChI=1S/C24H21FN2O3/c1-16-24(29)27(14-17-6-3-2-4-7-17)15-19-13-21(10-11-22(19)30-16)26-23(28)18-8-5-9-20(25)12-18/h2-13,16H,14-15H2,1H3,(H,26,28)

InChI Key

YCVRNFJUJXUKQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.005

Distribution Coefficient, logD

4.004

Water Solubility, LogSw

-4.20

Polar Surface Area

47.672

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with V017-8622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-8622?
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What is the minimum amount of V017-8622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-8622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-8622
  • 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 V017-8622 available by request