D252-0018 Screening compound: 5-(4-bromophenyl)-1,3-dimethyl-6-(4-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D252-0018 Screening compound: 5-(4-bromophenyl)-1,3-dimethyl-6-(4-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D252-0018 Screening compound: 5-(4-bromophenyl)-1,3-dimethyl-6-(4-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D252-0018
5-(4-bromophenyl)-1,3-dimethyl-6-(4-methylphenyl)-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

D252-0018

Molecular Formula

C21H18BrN3O2 (C21 H18 BrN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-n(cc1N(C)C(N2C)=O)c(-c(cc3)ccc3Br)c1C2=O

InChI

InChI=1S/C21H18BrN3O2/c1-13-4-10-16(11-5-13)25-12-17-18(20(26)24(3)21(27)23(17)2)19(25)14-6-8-15(22)9-7-14/h4-12H,1-3H3

InChI Key

NMPGBCQUPNMXJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09699128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.3

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

4.786

Distribution Coefficient, logD

4.786

Water Solubility, LogSw

-4.68

Polar Surface Area

32.787

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D252-0018 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 D252-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D252-0018?
Check Price and Availability of D252-0018, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D252-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D252-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D252-0018
  • 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 D252-0018 available by request