8003-1238 Screening compound: 2-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-5-nitro-1H-isoindole-1,3(2H)-dione

8003-1238 Screening compound: 2-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-5-nitro-1H-isoindole-1,3(2H)-dione
8003-1238 Screening compound: 2-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-5-nitro-1H-isoindole-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-1238
2-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-5-nitro-1H-isoindole-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

8003-1238

Molecular Formula

C12H6N4O6 (C12 H6 N4 O6)

Compound Name

2-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-5-nitro-1H-isoindole-1,3(2H)-dione

IUPAC name

2-(24-dioxo-1234-tetrahydropyrimidin-5-yl)-5-nitro-23-dihydro-1H-isoindole-13-dione

SMILES

[O-][N+](c(cc1)cc(C(N2C(C(N3)=O)=CNC3=O)=O)c1C2=O)=O

InChI

InChI=1S/C12H6N4O6/c17-9-8(4-13-12(20)14-9)15-10(18)6-2-1-5(16(21)22)3-7(6)11(15)19/h1-4H,(H2,13,14,17,20)

InChI Key

AQEIWTPHXYGWNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00487910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.2

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.174

Distribution Coefficient, logD

-1.910

Water Solubility, LogSw

-2.47

Polar Surface Area

110.760

Acid Dissociation Constant (pKa)

5.67

Base Dissociation Constant (pKb)

-5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8003-1238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-1238?
Check Price and Availability of 8003-1238, 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 8003-1238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-1238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-1238
  • 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 8003-1238 available by request