D252-0103 Screening compound: 5-(2-bromophenyl)-6-[2-(1H-indol-3-yl)ethyl]-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D252-0103 Screening compound: 5-(2-bromophenyl)-6-[2-(1H-indol-3-yl)ethyl]-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D252-0103 Screening compound: 5-(2-bromophenyl)-6-[2-(1H-indol-3-yl)ethyl]-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 D252-0103
5-(2-bromophenyl)-6-[2-(1H-indol-3-yl)ethyl]-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

D252-0103

Molecular Formula

C24H21BrN4O2 (C24 H21 BrN4 O2)

Compound Name

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

IUPAC name

5-(2-bromophenyl)-6-[2-(1H-indol-3-yl)ethyl]-13-dimethyl-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

CN(c1cn(CCc2c[nH]c3c2cccc3)c(-c(cccc2)c2Br)c1C(N1C)=O)C1=O

InChI

InChI=1S/C24H21BrN4O2/c1-27-20-14-29(12-11-15-13-26-19-10-6-4-7-16(15)19)22(17-8-3-5-9-18(17)25)21(20)23(30)28(2)24(27)31/h3-10,13-14,26H,11-12H2,1-2H3

InChI Key

BUYJIDZKNHBLSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10476845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.257

Distribution Coefficient, logD

4.257

Water Solubility, LogSw

-4.16

Polar Surface Area

42.177

Acid Dissociation Constant (pKa)

17.35

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D252-0103 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 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 D252-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D252-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D252-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D252-0103
  • 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 D252-0103 available by request