8755-0329 Screening compound: N-[2-(3-tert-butyl-3,4-dihydro-2H-1,3-benzoxazin-6-yl)ethyl]-4-chlorobenzamide

8755-0329 Screening compound: N-[2-(3-tert-butyl-3,4-dihydro-2H-1,3-benzoxazin-6-yl)ethyl]-4-chlorobenzamide
8755-0329 Screening compound: N-[2-(3-tert-butyl-3,4-dihydro-2H-1,3-benzoxazin-6-yl)ethyl]-4-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8755-0329
N-[2-(3-tert-butyl-3,4-dihydro-2H-1,3-benzoxazin-6-yl)ethyl]-4-chlorobenzamide

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

8755-0329

Molecular Formula

C21H25ClN2O2 (C21 H25 ClN2 O2)

Compound Name

N-[2-(3-tert-butyl-3,4-dihydro-2H-1,3-benzoxazin-6-yl)ethyl]-4-chlorobenzamide

IUPAC name

N-[2-(3-tert-butyl-34-dihydro-2H-13-benzoxazin-6-yl)ethyl]-4-chlorobenzamide

SMILES

CC(C)(C)N(C1)COc2c1cc(CCNC(c(cc1)ccc1Cl)=O)cc2

InChI

InChI=1S/C21H25ClN2O2/c1-21(2,3)24-13-17-12-15(4-9-19(17)26-14-24)10-11-23-20(25)16-5-7-18(22)8-6-16/h4-9,12H,10-11,13-14H2,1-3H3,(H,23,25)

InChI Key

XAJWMWFANBOTLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00366412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.110

Distribution Coefficient, logD

1.167

Water Solubility, LogSw

-4.52

Polar Surface Area

37.764

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

10.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

8755-0329 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8755-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8755-0329?
Check Price and Availability of 8755-0329, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8755-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8755-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8755-0329
  • 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 8755-0329 available by request