D383-0158 Screening compound: 5-(3-bromophenyl)-6-(2,3-dimethylquinolin-8-yl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D383-0158 Screening compound: 5-(3-bromophenyl)-6-(2,3-dimethylquinolin-8-yl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D383-0158 Screening compound: 5-(3-bromophenyl)-6-(2,3-dimethylquinolin-8-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 D383-0158
5-(3-bromophenyl)-6-(2,3-dimethylquinolin-8-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

D383-0158

Molecular Formula

C25H21BrN4O2 (C25 H21 BrN4 O2)

Compound Name

5-(3-bromophenyl)-6-(2,3-dimethylquinolin-8-yl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

IUPAC name

5-(3-bromophenyl)-6-(23-dimethylquinolin-8-yl)-13-dimethyl-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

Cc1c(C)nc2c(-n(cc3N(C)C(N4C)=O)c(-c5cccc(Br)c5)c3C4=O)cccc2c1

InChI

InChI=1S/C25H21BrN4O2/c1-14-11-16-7-6-10-19(22(16)27-15(14)2)30-13-20-21(24(31)29(4)25(32)28(20)3)23(30)17-8-5-9-18(26)12-17/h5-13H,1-4H3

InChI Key

IBPXFCGVFDEAPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14825750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.521

Distribution Coefficient, logD

5.512

Water Solubility, LogSw

-6.25

Polar Surface Area

42.164

Acid Dissociation Constant (pKa)

24.51

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

D383-0158 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D383-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D383-0158?
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What is the minimum amount of D383-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D383-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D383-0158
  • 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 D383-0158 available by request