0289-0004 Screening compound: 3-[(6-bromo-3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-1-yl)carbonyl]-1-benzenesulfonic acid

0289-0004 Screening compound: 3-[(6-bromo-3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-1-yl)carbonyl]-1-benzenesulfonic acid
0289-0004 Screening compound: 3-[(6-bromo-3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-1-yl)carbonyl]-1-benzenesulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0289-0004
3-[(6-bromo-3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-1-yl)carbonyl]-1-benzenesulfonic acid

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

0289-0004

Molecular Formula

C24H14BrNO6S (C24 H14 BrNO6 S)

Compound Name

3-[(6-bromo-3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-1-yl)carbonyl]-1-benzenesulfonic acid

IUPAC name

3-{10-bromo-14-methyl-815-dioxo-14-azatetracyclo[7.7.1.0^{27}.0^{1317}]heptadeca-1(16)2(7)359(17)1012-heptaene-16-carbonyl}benzene-1-sulfonic acid

SMILES

CN(c(ccc(Br)c1C(c2c3cccc2)=O)c1C3=C1C(c2cc(S(O)(=O)=O)ccc2)=O)C1=O

InChI

InChI=1S/C24H14BrNO6S/c1-26-17-10-9-16(25)19-20(17)18(14-7-2-3-8-15(14)23(19)28)21(24(26)29)22(27)12-5-4-6-13(11-12)33(30,31)32/h2-11H,1H3,(H,30,31,32)

InChI Key

PPWUWWJKCOMUTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00328557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.35

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.787

Distribution Coefficient, logD

-11.913

Water Solubility, LogSw

-2.84

Polar Surface Area

84.055

Acid Dissociation Constant (pKa)

-6.30

Base Dissociation Constant (pKb)

-12.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

0289-0004 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0289-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0289-0004?
Check Price and Availability of 0289-0004, 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 0289-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0289-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0289-0004
  • 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 0289-0004 available by request