8003-7428 Screening compound: 9-methyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-4-one

8003-7428 Screening compound: 9-methyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-4-one
8003-7428 Screening compound: 9-methyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-7428
9-methyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-4-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

8003-7428

Molecular Formula

C13H12N2O3 (C13 H12 N2 O3)

Compound Name

9-methyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-4-one

IUPAC name

9-methyl-6-nitro-2349-tetrahydro-1H-carbazol-4-one

SMILES

Cn1c(ccc([N+]([O-])=O)c2)c2c2c1CCCC2=O

InChI

InChI=1S/C13H12N2O3/c1-14-10-6-5-8(15(17)18)7-9(10)13-11(14)3-2-4-12(13)16/h5-7H,2-4H2,1H3

InChI Key

AKXGAVHMMAPISG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.25

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

2.477

Distribution Coefficient, logD

2.477

Water Solubility, LogSw

-2.76

Polar Surface Area

49.055

Acid Dissociation Constant (pKa)

18.37

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

8003-7428 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8003-7428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-7428?
Check Price and Availability of 8003-7428, 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 8003-7428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-7428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-7428
  • 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 8003-7428 available by request