D252-0023 Screening compound: 6-(2-amino-4,5-dimethylphenyl)-5-(4-bromophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D252-0023 Screening compound: 6-(2-amino-4,5-dimethylphenyl)-5-(4-bromophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D252-0023 Screening compound: 6-(2-amino-4,5-dimethylphenyl)-5-(4-bromophenyl)-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 D252-0023
6-(2-amino-4,5-dimethylphenyl)-5-(4-bromophenyl)-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

D252-0023

Molecular Formula

C22H21BrN4O2 (C22 H21 BrN4 O2)

Compound Name

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

IUPAC name

6-(2-amino-45-dimethylphenyl)-5-(4-bromophenyl)-13-dimethyl-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

Cc(c(C)c1)cc(N)c1-n(cc1N(C)C(N2C)=O)c(-c(cc3)ccc3Br)c1C2=O

InChI

InChI=1S/C22H21BrN4O2/c1-12-9-16(24)17(10-13(12)2)27-11-18-19(21(28)26(4)22(29)25(18)3)20(27)14-5-7-15(23)8-6-14/h5-11H,24H2,1-4H3

InChI Key

IPAMOTSRKIXWPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09698692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.701

Distribution Coefficient, logD

4.701

Water Solubility, LogSw

-4.73

Polar Surface Area

52.582

Acid Dissociation Constant (pKa)

20.47

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D252-0023 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D252-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D252-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D252-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D252-0023
  • 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 D252-0023 available by request