D252-0138 Screening compound: 5-(2-bromophenyl)-1,3-dimethyl-6-[(oxolan-2-yl)methyl]-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D252-0138 Screening compound: 5-(2-bromophenyl)-1,3-dimethyl-6-[(oxolan-2-yl)methyl]-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D252-0138 Screening compound: 5-(2-bromophenyl)-1,3-dimethyl-6-[(oxolan-2-yl)methyl]-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D252-0138
5-(2-bromophenyl)-1,3-dimethyl-6-[(oxolan-2-yl)methyl]-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

D252-0138

Molecular Formula

C19H20BrN3O3 (C19 H20 BrN3 O3)

Compound Name

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

IUPAC name

5-(2-bromophenyl)-13-dimethyl-6-[(oxolan-2-yl)methyl]-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

CN(c1cn(CC2OCCC2)c(-c(cccc2)c2Br)c1C(N1C)=O)C1=O

InChI

InChI=1S/C19H20BrN3O3/c1-21-15-11-23(10-12-6-5-9-26-12)17(13-7-3-4-8-14(13)20)16(15)18(24)22(2)19(21)25/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3/t12-/m1/s1

InChI Key

AHOBKIYFPYRBTG-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD26967413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.413

Distribution Coefficient, logD

2.413

Water Solubility, LogSw

-2.63

Polar Surface Area

40.983

Acid Dissociation Constant (pKa)

25.70

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

D252-0138 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D252-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D252-0138?
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What is the minimum amount of D252-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D252-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D252-0138
  • 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 D252-0138 available by request