D252-0048 Screening compound: 5-(4-bromophenyl)-6-(4-fluorophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D252-0048 Screening compound: 5-(4-bromophenyl)-6-(4-fluorophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D252-0048 Screening compound: 5-(4-bromophenyl)-6-(4-fluorophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D252-0048
5-(4-bromophenyl)-6-(4-fluorophenyl)-1,3-dimethyl-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

D252-0048

Molecular Formula

C20H15BrFN3O2 (C20 H15 BrFN3 O2)

Compound Name

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

IUPAC name

5-(4-bromophenyl)-6-(4-fluorophenyl)-13-dimethyl-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

CN(c(c(C(N1C)=O)c2-c(cc3)ccc3Br)cn2-c(cc2)ccc2F)C1=O

InChI

InChI=1S/C20H15BrFN3O2/c1-23-16-11-25(15-9-7-14(22)8-10-15)18(12-3-5-13(21)6-4-12)17(16)19(26)24(2)20(23)27/h3-11H,1-2H3

InChI Key

YCRSOCRZNLZYKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09698690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.392

Distribution Coefficient, logD

4.392

Water Solubility, LogSw

-4.54

Polar Surface Area

32.787

Acid Dissociation Constant (pKa)

32.16

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D252-0048 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • 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 D252-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D252-0048?
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What is the minimum amount of D252-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D252-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D252-0048
  • 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 D252-0048 available by request