D252-0125 Screening compound: 5-(2-bromophenyl)-1,3-dimethyl-6-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D252-0125 Screening compound: 5-(2-bromophenyl)-1,3-dimethyl-6-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D252-0125 Screening compound: 5-(2-bromophenyl)-1,3-dimethyl-6-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D252-0125
5-(2-bromophenyl)-1,3-dimethyl-6-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-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

D252-0125

Molecular Formula

C21H16BrN5O3 (C21 H16 BrN5 O3)

Compound Name

5-(2-bromophenyl)-1,3-dimethyl-6-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

IUPAC name

5-(2-bromophenyl)-13-dimethyl-6-(2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

CN(c(c(C(N1C)=O)c2-c(cccc3)c3Br)cn2-c(cc2)cc(N3)c2NC3=O)C1=O

InChI

InChI=1S/C21H16BrN5O3/c1-25-16-10-27(11-7-8-14-15(9-11)24-20(29)23-14)18(12-5-3-4-6-13(12)22)17(16)19(28)26(2)21(25)30/h3-10H,1-2H3,(H2,23,24,29)

InChI Key

STXQJZDTPPGNPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.046

Distribution Coefficient, logD

3.046

Water Solubility, LogSw

-3.61

Polar Surface Area

68.514

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D252-0125 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Purinergic Library (3321 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D252-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D252-0125?
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What is the minimum amount of D252-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D252-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D252-0125
  • 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 D252-0125 available by request