4901-0039 Screening compound: 6-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

4901-0039 Screening compound: 6-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
4901-0039 Screening compound: 6-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4901-0039
6-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-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

4901-0039

Molecular Formula

C17H14N4O2 (C17 H14 N4 O2)

Compound Name

6-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

10-amino-3-(35-dimethyl-1H-pyrazol-4-yl)-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaene-24-dione

SMILES

Cc([nH]nc1C)c1N(C(c(cccc12)c1c1ccc2N)=O)C1=O

InChI

InChI=1S/C17H14N4O2/c1-8-15(9(2)20-19-8)21-16(22)11-5-3-4-10-13(18)7-6-12(14(10)11)17(21)23/h3-7H,18H2,1-2H3,(H,19,20)

InChI Key

NTVPZEBRADKNLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00301426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.346

Distribution Coefficient, logD

1.346

Water Solubility, LogSw

-2.37

Polar Surface Area

71.652

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

References: we are preparing a list of scientific research reports with 4901-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4901-0039?
Check Price and Availability of 4901-0039, 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 4901-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4901-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4901-0039
  • 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 4901-0039 available by request