8012-4574 Screening compound: 11-(4-methylphenoxy)naphtho[2,1-b][1,4]benzoxazepin-9-yl (4-methylphenyl) ether

8012-4574 Screening compound: 11-(4-methylphenoxy)naphtho[2,1-b][1,4]benzoxazepin-9-yl (4-methylphenyl) ether
8012-4574 Screening compound: 11-(4-methylphenoxy)naphtho[2,1-b][1,4]benzoxazepin-9-yl (4-methylphenyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4574
11-(4-methylphenoxy)naphtho[2,1-b][1,4]benzoxazepin-9-yl (4-methylphenyl) 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

8012-4574

Molecular Formula

C31H23NO3 (C31 H23 NO3)

Compound Name

11-(4-methylphenoxy)naphtho[2,1-b][1,4]benzoxazepin-9-yl (4-methylphenyl) ether

IUPAC name

57-bis(4-methylphenoxy)-2-oxa-10-azatetracyclo[9.8.0.0^{38}.0^{1217}]nonadeca-1(11)3(8)46912(17)131518-nonaene

SMILES

Cc(cc1)ccc1Oc1cc(Oc(ccc2ccccc22)c2N=C2)c2c(Oc2ccc(C)cc2)c1

InChI

InChI=1S/C31H23NO3/c1-20-7-12-23(13-8-20)33-25-17-29(34-24-14-9-21(2)10-15-24)27-19-32-31-26-6-4-3-5-22(26)11-16-28(31)35-30(27)18-25/h3-19H,1-2H3

InChI Key

CNJUXCIPIIPLRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.423

Distribution Coefficient, logD

8.423

Water Solubility, LogSw

-7.03

Polar Surface Area

27.473

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.50

References: we are preparing a list of scientific research reports with 8012-4574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4574?
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What is the minimum amount of 8012-4574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4574
  • 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 8012-4574 available by request