D383-0094 Screening compound: 5-(3-bromophenyl)-6-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D383-0094 Screening compound: 5-(3-bromophenyl)-6-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D383-0094 Screening compound: 5-(3-bromophenyl)-6-(1-hydroxy-2-methylpropan-2-yl)-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 D383-0094
5-(3-bromophenyl)-6-(1-hydroxy-2-methylpropan-2-yl)-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

D383-0094

Molecular Formula

C18H20BrN3O3 (C18 H20 BrN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(CO)n(cc1N(C)C(N2C)=O)c(-c3cccc(Br)c3)c1C2=O

InChI

InChI=1S/C18H20BrN3O3/c1-18(2,10-23)22-9-13-14(16(24)21(4)17(25)20(13)3)15(22)11-6-5-7-12(19)8-11/h5-9,23H,10H2,1-4H3

InChI Key

KFDLJYXLTRETLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09790914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.903

Distribution Coefficient, logD

2.903

Water Solubility, LogSw

-3.10

Polar Surface Area

50.454

Acid Dissociation Constant (pKa)

16.19

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D383-0094 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D383-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D383-0094?
Check Price and Availability of D383-0094, 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 D383-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D383-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D383-0094
  • 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 D383-0094 available by request