5228-8271 Screening compound: 1-(4-bromoanilino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione

5228-8271 Screening compound: 1-(4-bromoanilino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
5228-8271 Screening compound: 1-(4-bromoanilino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5228-8271
1-(4-bromoanilino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione

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

5228-8271

Molecular Formula

C23H15BrN2O2 (C23 H15 BrN2 O2)

Compound Name

1-(4-bromoanilino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione

IUPAC name

16-[(4-bromophenyl)amino]-14-methyl-14-azatetracyclo[7.7.1.0^{27}.0^{1317}]heptadeca-1(16)2469(17)1012-heptaene-815-dione

SMILES

CN(c(cccc1C(c2c3cccc2)=O)c1C3=C1Nc(cc2)ccc2Br)C1=O

InChI

InChI=1S/C23H15BrN2O2/c1-26-18-8-4-7-17-19(18)20(15-5-2-3-6-16(15)22(17)27)21(23(26)28)25-14-11-9-13(24)10-12-14/h2-12,25H,1H3

InChI Key

SJNYORGZUXRCSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04440968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.202

Distribution Coefficient, logD

5.191

Water Solubility, LogSw

-5.21

Polar Surface Area

37.285

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 5228-8271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5228-8271?
Check Price and Availability of 5228-8271, 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 5228-8271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5228-8271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5228-8271
  • 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 5228-8271 available by request