8003-3734 Screening compound: 6-bromo-5-nitro-2-(3-toluidino)-1H-benzo[de]isoquinoline-1,3(2H)-dione

8003-3734 Screening compound: 6-bromo-5-nitro-2-(3-toluidino)-1H-benzo[de]isoquinoline-1,3(2H)-dione
8003-3734 Screening compound: 6-bromo-5-nitro-2-(3-toluidino)-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-3734
6-bromo-5-nitro-2-(3-toluidino)-1H-benzo[de]isoquinoline-1,3(2H)-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

8003-3734

Molecular Formula

C19H12BrN3O4 (C19 H12 BrN3 O4)

Compound Name

6-bromo-5-nitro-2-(3-toluidino)-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

10-bromo-3-[(3-methylphenyl)amino]-11-nitro-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaene-24-dione

SMILES

Cc1cccc(NN(C(c(cccc23)c3c3cc([N+]([O-])=O)c2Br)=O)C3=O)c1

InChI

InChI=1S/C19H12BrN3O4/c1-10-4-2-5-11(8-10)21-22-18(24)13-7-3-6-12-16(13)14(19(22)25)9-15(17(12)20)23(26)27/h2-9,21H,1H3

InChI Key

UKZDZXGDNFLNPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00660054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.917

Distribution Coefficient, logD

1.806

Water Solubility, LogSw

-4.38

Polar Surface Area

74.157

Acid Dissociation Constant (pKa)

18.38

Base Dissociation Constant (pKb)

9.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.26

8003-3734 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8003-3734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-3734?
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What is the minimum amount of 8003-3734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-3734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-3734
  • 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 8003-3734 available by request