8011-7302 Screening compound: 1,4-diamino-2,5-dinitro-3a,6a(3H,6H)-pentalenedicarbonitrile

8011-7302 Screening compound: 1,4-diamino-2,5-dinitro-3a,6a(3H,6H)-pentalenedicarbonitrile
8011-7302 Screening compound: 1,4-diamino-2,5-dinitro-3a,6a(3H,6H)-pentalenedicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-7302
1,4-diamino-2,5-dinitro-3a,6a(3H,6H)-pentalenedicarbonitrile

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

8011-7302

Molecular Formula

C10H8N6O4 (C10 H8 N6 O4)

Compound Name

1,4-diamino-2,5-dinitro-3a,6a(3H,6H)-pentalenedicarbonitrile

IUPAC name

36-diamino-25-dinitro-13a46a-tetrahydropentalene-3a6a-dicarbonitrile

SMILES

NC(C(CC([N+]([O-])=O)=C1N)(C1(C1)C#N)C#N)=C1[N+]([O-])=O

InChI

InChI=1S/C10H8N6O4/c11-3-9-1-5(15(17)18)7(13)10(9,4-12)2-6(8(9)14)16(19)20/h1-2,13-14H2

InChI Key

KOKNDQFAJTYOKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03035336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.21

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.007

Distribution Coefficient, logD

-1.007

Water Solubility, LogSw

-0.24

Polar Surface Area

145.078

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 8011-7302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-7302?
Check Price and Availability of 8011-7302, 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 8011-7302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-7302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-7302
  • 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 8011-7302 available by request