8003-0106 Screening compound: 5-benzyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione

8003-0106 Screening compound: 5-benzyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
8003-0106 Screening compound: 5-benzyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0106
5-benzyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-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

8003-0106

Molecular Formula

C12H11N3O2 (C12 H11 N3 O2)

Compound Name

5-benzyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione

IUPAC name

5-benzyl-1H3aH4H5H6H6aH-pyrrolo[34-c]pyrazole-46-dione

SMILES

O=C(C1C=NNC11)N(Cc2ccccc2)C1=O

InChI

InChI=1S/C12H11N3O2/c16-11-9-6-13-14-10(9)12(17)15(11)7-8-4-2-1-3-5-8/h1-6,9-10,14H,7H2

InChI Key

CBFHOYBSZUEILM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00686875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

229.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.183

Distribution Coefficient, logD

0.171

Water Solubility, LogSw

-1.75

Polar Surface Area

55.376

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

8003-0106 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8003-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0106?
Check Price and Availability of 8003-0106, 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 8003-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0106
  • 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 8003-0106 available by request