8018-2589 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-6-[(pyridin-3-yl)methyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

8018-2589 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-6-[(pyridin-3-yl)methyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
8018-2589 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-6-[(pyridin-3-yl)methyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2589
4-(2H-1,3-benzodioxol-5-yl)-6-[(pyridin-3-yl)methyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-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

8018-2589

Molecular Formula

C19H16N4O4 (C19 H16 N4 O4)

Compound Name

4-(2H-1,3-benzodioxol-5-yl)-6-[(pyridin-3-yl)methyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

IUPAC name

4-(2H-13-benzodioxol-5-yl)-6-[(pyridin-3-yl)methyl]-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

O=C1N(Cc2cnccc2)CC(N2)=C1C(c(cc1)cc3c1OCO3)NC2=O

InChI

InChI=1S/C19H16N4O4/c24-18-16-13(9-23(18)8-11-2-1-5-20-7-11)21-19(25)22-17(16)12-3-4-14-15(6-12)27-10-26-14/h1-7,17H,8-10H2,(H2,21,22,25)/t17-/m0/s1

InChI Key

HLLLLADXJQZDAM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD07657678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.597

Distribution Coefficient, logD

0.396

Water Solubility, LogSw

-1.50

Polar Surface Area

79.370

Acid Dissociation Constant (pKa)

7.63

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.05

8018-2589 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-2589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2589?
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What is the minimum amount of 8018-2589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2589
  • 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 8018-2589 available by request