8602-0121 Screening compound: 1-(4-methylphenyl)-6-(propan-2-yl)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

8602-0121 Screening compound: 1-(4-methylphenyl)-6-(propan-2-yl)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
8602-0121 Screening compound: 1-(4-methylphenyl)-6-(propan-2-yl)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8602-0121
1-(4-methylphenyl)-6-(propan-2-yl)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-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

8602-0121

Molecular Formula

C16H20N4O2 (C16 H20 N4 O2)

Compound Name

1-(4-methylphenyl)-6-(propan-2-yl)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

IUPAC name

1-(4-methylphenyl)-6-(propan-2-yl)-1H2H3H4H5H6H7H8H-[13]diazino[45-d]pyrimidine-24-dione

SMILES

CC(C)N(C1)CNC(N(c2ccc(C)cc2)C(N2)=O)=C1C2=O

InChI

InChI=1S/C16H20N4O2/c1-10(2)19-8-13-14(17-9-19)20(16(22)18-15(13)21)12-6-4-11(3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,18,21,22)

InChI Key

MYFSMCULSBYFMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07638226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.815

Distribution Coefficient, logD

1.658

Water Solubility, LogSw

-2.42

Polar Surface Area

53.795

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

8602-0121 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

KRAS-Targeted Library (16000 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8602-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8602-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0121
  • 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 8602-0121 available by request