8020-1464 Screening compound: N-(2,6-dimethoxypyrimidin-4-yl)-4-{1-methyl-2,5-dioxo-4-phenyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}benzene-1-sulfonamide

8020-1464 Screening compound: N-(2,6-dimethoxypyrimidin-4-yl)-4-{1-methyl-2,5-dioxo-4-phenyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}benzene-1-sulfonamide
8020-1464 Screening compound: N-(2,6-dimethoxypyrimidin-4-yl)-4-{1-methyl-2,5-dioxo-4-phenyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1464
N-(2,6-dimethoxypyrimidin-4-yl)-4-{1-methyl-2,5-dioxo-4-phenyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}benzene-1-sulfonamide

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

8020-1464

Molecular Formula

C25H24N6O6S (C25 H24 N6 O6 S)

Compound Name

N-(2,6-dimethoxypyrimidin-4-yl)-4-{1-methyl-2,5-dioxo-4-phenyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}benzene-1-sulfonamide

IUPAC name

N-(26-dimethoxypyrimidin-4-yl)-4-{1-methyl-25-dioxo-4-phenyl-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl}benzene-1-sulfonamide

SMILES

CN(C(CN1c(cc2)ccc2S(Nc2nc(OC)nc(OC)c2)(=O)=O)=C(C(c2ccccc2)N2)C1=O)C2=O

InChI

InChI=1S/C25H24N6O6S/c1-30-18-14-31(23(32)21(18)22(28-25(30)33)15-7-5-4-6-8-15)16-9-11-17(12-10-16)38(34,35)29-19-13-20(36-2)27-24(26-19)37-3/h4-13,22H,14H2,1-3H3,(H,28,33)(H,26,27,29)/t22-/m1/s1

InChI Key

BKBGFRQXIVWVTG-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD12035252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.387

Distribution Coefficient, logD

-0.741

Water Solubility, LogSw

-3.17

Polar Surface Area

118.633

Acid Dissociation Constant (pKa)

4.27

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8020-1464 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Antibacterial Compounds Library (13827 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8020-1464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1464?
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What is the minimum amount of 8020-1464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1464
  • 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 8020-1464 available by request