8010-1372 Screening compound: 2-[3,5-dimethyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl]-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

8010-1372 Screening compound: 2-[3,5-dimethyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl]-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
8010-1372 Screening compound: 2-[3,5-dimethyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl]-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1372
2-[3,5-dimethyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl]-5,8-dinitro-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

8010-1372

Molecular Formula

C23H14N6O8 (C23 H14 N6 O8)

Compound Name

2-[3,5-dimethyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl]-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

3-[35-dimethyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl]-711-dinitro-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaene-24-dione

SMILES

Cc(n(-c(cc1)ccc1[N+]([O-])=O)nc1C)c1N(C(c1c2c3cc([N+]([O-])=O)cc2cc([N+]([O-])=O)c1)=O)C3=O

InChI

InChI=1S/C23H14N6O8/c1-11-21(12(2)26(24-11)14-3-5-15(6-4-14)27(32)33)25-22(30)18-9-16(28(34)35)7-13-8-17(29(36)37)10-19(20(13)18)23(25)31/h3-10H,1-2H3

InChI Key

HXIWTXOQYLDIPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01191084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.4

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

3.033

Distribution Coefficient, logD

3.033

Water Solubility, LogSw

-3.76

Polar Surface Area

142.203

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8010-1372 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-1372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1372?
Check Price and Availability of 8010-1372, 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 8010-1372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1372
  • 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 8010-1372 available by request