6718-0038 Screening compound: N~1~-[3-(4-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazin-6-yl]acetamide

6718-0038 Screening compound: N~1~-[3-(4-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazin-6-yl]acetamide
6718-0038 Screening compound: N~1~-[3-(4-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazin-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6718-0038
N~1~-[3-(4-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazin-6-yl]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

6718-0038

Molecular Formula

C17H17ClN2O2 (C17 H17 ClN2 O2)

Compound Name

N~1~-[3-(4-chlorobenzyl)-3,4-dihydro-2H-1,3-benzoxazin-6-yl]acetamide

IUPAC name

n/a

SMILES

CC(Nc(cc1)cc2c1OCN(Cc(cc1)ccc1Cl)C2)=O

InChI

InChI=1S/C17H17ClN2O2/c1-12(21)19-16-6-7-17-14(8-16)10-20(11-22-17)9-13-2-4-15(18)5-3-13/h2-8H,9-11H2,1H3,(H,19,21)

InChI Key

JFOJHWPEHWRSLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04172913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.141

Distribution Coefficient, logD

2.410

Water Solubility, LogSw

-3.50

Polar Surface Area

36.085

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 6718-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6718-0038?
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What is the minimum amount of 6718-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6718-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6718-0038
  • 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 6718-0038 available by request