C216-0013 Screening compound: 9-(4-nitrophenyl)-2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]quinolin-7-one

C216-0013 Screening compound: 9-(4-nitrophenyl)-2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]quinolin-7-one
C216-0013 Screening compound: 9-(4-nitrophenyl)-2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]quinolin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C216-0013
9-(4-nitrophenyl)-2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]quinolin-7-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

C216-0013

Molecular Formula

C17H14N2O5 (C17 H14 N2 O5)

Compound Name

9-(4-nitrophenyl)-2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]quinolin-7-one

IUPAC name

9-(4-nitrophenyl)-2H3H6H7H8H9H-[14]dioxino[23-g]quinolin-7-one

SMILES

[O-][N+](c1ccc(C(C2)c(cc3OCCOc3c3)c3NC2=O)cc1)=O

InChI

InChI=1S/C17H14N2O5/c20-17-8-12(10-1-3-11(4-2-10)19(21)22)13-7-15-16(9-14(13)18-17)24-6-5-23-15/h1-4,7,9,12H,5-6,8H2,(H,18,20)/t12-/m0/s1

InChI Key

MJTBXMWHTRZIOX-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD04220460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.397

Distribution Coefficient, logD

1.397

Water Solubility, LogSw

-2.34

Polar Surface Area

73.992

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with C216-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C216-0013?
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What is the minimum amount of C216-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C216-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C216-0013
  • 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 C216-0013 available by request