8018-0686 Screening compound: 1-methyl-4-nitro-1H-benzo[b]furo[4,3,2-ef][1]benzoxepine

8018-0686 Screening compound: 1-methyl-4-nitro-1H-benzo[b]furo[4,3,2-ef][1]benzoxepine
8018-0686 Screening compound: 1-methyl-4-nitro-1H-benzo[b]furo[4,3,2-ef][1]benzoxepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0686
1-methyl-4-nitro-1H-benzo[b]furo[4,3,2-ef][1]benzoxepine

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

8018-0686

Molecular Formula

C16H11NO4 (C16 H11 NO4)

Compound Name

1-methyl-4-nitro-1H-benzo[b]furo[4,3,2-ef][1]benzoxepine

IUPAC name

11-methyl-15-nitro-212-dioxatetracyclo[8.6.1.0^{38}.0^{1317}]heptadeca-1(16)3(8)46913(17)14-heptaene

SMILES

CC1Oc2cc([N+]([O-])=O)cc3c2C1=Cc(cccc1)c1O3

InChI

InChI=1S/C16H11NO4/c1-9-12-6-10-4-2-3-5-13(10)21-15-8-11(17(18)19)7-14(20-9)16(12)15/h2-9H,1H3/t9-/m1/s1

InChI Key

SUTVTTIJQIIGKB-SECBINFHSA-N

MDL Number (MFCD)

MFCD07022295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.191

Distribution Coefficient, logD

4.191

Water Solubility, LogSw

-4.63

Polar Surface Area

48.782

Acid Dissociation Constant (pKa)

29.46

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8018-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0686?
Check Price and Availability of 8018-0686, 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 8018-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0686
  • 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 8018-0686 available by request