8012-9840 Screening compound: 3-benzyl-1-(2-pyrimidinyl)dihydro-1H-pyrrole-2,5-dione

8012-9840 Screening compound: 3-benzyl-1-(2-pyrimidinyl)dihydro-1H-pyrrole-2,5-dione
8012-9840 Screening compound: 3-benzyl-1-(2-pyrimidinyl)dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9840
3-benzyl-1-(2-pyrimidinyl)dihydro-1H-pyrrole-2,5-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

8012-9840

Molecular Formula

C15H13N3O2 (C15 H13 N3 O2)

Compound Name

3-benzyl-1-(2-pyrimidinyl)dihydro-1H-pyrrole-2,5-dione

IUPAC name

3-benzyl-1-(pyrimidin-2-yl)pyrrolidine-25-dione

SMILES

O=C(CC(Cc1ccccc1)C1=O)N1c1ncccn1

InChI

InChI=1S/C15H13N3O2/c19-13-10-12(9-11-5-2-1-3-6-11)14(20)18(13)15-16-7-4-8-17-15/h1-8,12H,9-10H2/t12-/m0/s1

InChI Key

RMUHLLVQDGPTNF-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.719

Distribution Coefficient, logD

1.719

Water Solubility, LogSw

-1.66

Polar Surface Area

47.520

Acid Dissociation Constant (pKa)

17.60

Base Dissociation Constant (pKb)

-4.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8012-9840 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-9840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9840?
Check Price and Availability of 8012-9840, 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 8012-9840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9840
  • 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 8012-9840 available by request