8019-5713 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

8019-5713 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
8019-5713 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5713
6-(2H-1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-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

8019-5713

Molecular Formula

C21H16ClN3O4 (C21 H16 ClN3 O4)

Compound Name

6-(2H-1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

IUPAC name

6-(2H-13-benzodioxol-5-yl)-5-(2-chlorophenyl)-13-dimethyl-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

CN(c(c(C(N1C)=O)c2-c(cccc3)c3Cl)cn2-c(cc2)cc3c2OCO3)C1=O

InChI

InChI=1S/C21H16ClN3O4/c1-23-15-10-25(12-7-8-16-17(9-12)29-11-28-16)19(13-5-3-4-6-14(13)22)18(15)20(26)24(2)21(23)27/h3-10H,11H2,1-2H3

InChI Key

LSWUOPVYJHXLGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.945

Distribution Coefficient, logD

3.945

Water Solubility, LogSw

-4.49

Polar Surface Area

49.903

Acid Dissociation Constant (pKa)

32.16

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8019-5713 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8019-5713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5713?
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What is the minimum amount of 8019-5713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5713
  • 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 8019-5713 available by request