D383-0055 Screening compound: 5-(3-bromophenyl)-6-(3,4-dimethoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D383-0055 Screening compound: 5-(3-bromophenyl)-6-(3,4-dimethoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D383-0055 Screening compound: 5-(3-bromophenyl)-6-(3,4-dimethoxyphenyl)-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 D383-0055
5-(3-bromophenyl)-6-(3,4-dimethoxyphenyl)-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

D383-0055

Molecular Formula

C22H20BrN3O4 (C22 H20 BrN3 O4)

Compound Name

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

IUPAC name

5-(3-bromophenyl)-6-(34-dimethoxyphenyl)-13-dimethyl-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

CN(c(c(C(N1C)=O)c2-c3cccc(Br)c3)cn2-c(cc2)cc(OC)c2OC)C1=O

InChI

InChI=1S/C22H20BrN3O4/c1-24-16-12-26(15-8-9-17(29-3)18(11-15)30-4)20(13-6-5-7-14(23)10-13)19(16)21(27)25(2)22(24)28/h5-12H,1-4H3

InChI Key

YUCDAZMMGBLXRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.091

Distribution Coefficient, logD

4.091

Water Solubility, LogSw

-4.44

Polar Surface Area

48.048

Acid Dissociation Constant (pKa)

32.16

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D383-0055 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D383-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D383-0055?
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What is the minimum amount of D383-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D383-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D383-0055
  • 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 D383-0055 available by request