8013-1276 Screening compound: 4-[6-chloro-2H-1,3-benzoxazin-3(4H)-yl]phenyl ethyl ether

8013-1276 Screening compound: 4-[6-chloro-2H-1,3-benzoxazin-3(4H)-yl]phenyl ethyl ether
8013-1276 Screening compound: 4-[6-chloro-2H-1,3-benzoxazin-3(4H)-yl]phenyl ethyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1276
4-[6-chloro-2H-1,3-benzoxazin-3(4H)-yl]phenyl ethyl ether

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

8013-1276

Molecular Formula

C16H16ClNO2 (C16 H16 ClNO2)

Compound Name

4-[6-chloro-2H-1,3-benzoxazin-3(4H)-yl]phenyl ethyl ether

IUPAC name

6-chloro-3-(4-ethoxyphenyl)-34-dihydro-2H-13-benzoxazine

SMILES

CCOc(cc1)ccc1N(C1)COc(cc2)c1cc2Cl

InChI

InChI=1S/C16H16ClNO2/c1-2-19-15-6-4-14(5-7-15)18-10-12-9-13(17)3-8-16(12)20-11-18/h3-9H,2,10-11H2,1H3

InChI Key

LLBNIINGXVCSCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.76

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.739

Distribution Coefficient, logD

4.739

Water Solubility, LogSw

-4.74

Polar Surface Area

19.666

Acid Dissociation Constant (pKa)

26.20

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8013-1276 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8013-1276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1276?
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What is the minimum amount of 8013-1276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1276
  • 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 8013-1276 available by request