Z606-0210 Screening compound: 1-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butan-1-one

Z606-0210 Screening compound: 1-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butan-1-one
Z606-0210 Screening compound: 1-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Z606-0210
1-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butan-1-one

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

Z606-0210

Molecular Formula

C12H14ClNO2 (C12 H14 ClNO2)

Compound Name

1-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butan-1-one

IUPAC name

1-(6-chloro-34-dihydro-2H-14-benzoxazin-4-yl)butan-1-one

SMILES

CCCC(N1c(cc(cc2)Cl)c2OCC1)=O

InChI

InChI=1S/C12H14ClNO2/c1-2-3-12(15)14-6-7-16-11-5-4-9(13)8-10(11)14/h4-5,8H,2-3,6-7H2,1H3

InChI Key

NJMKWDPZTYOFOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27640404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.7

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.179

Distribution Coefficient, logD

3.179

Water Solubility, LogSw

-3.38

Polar Surface Area

23.247

Acid Dissociation Constant (pKa)

22.49

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

Z606-0210 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Z606-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z606-0210?
Check Price and Availability of Z606-0210, 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 Z606-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z606-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z606-0210
  • 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 Z606-0210 available by request