D383-0058 Screening compound: 6-(2-amino-4-methylphenyl)-5-(3-bromophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D383-0058 Screening compound: 6-(2-amino-4-methylphenyl)-5-(3-bromophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D383-0058 Screening compound: 6-(2-amino-4-methylphenyl)-5-(3-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 D383-0058
6-(2-amino-4-methylphenyl)-5-(3-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

D383-0058

Molecular Formula

C21H19BrN4O2 (C21 H19 BrN4 O2)

Compound Name

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

IUPAC name

6-(2-amino-4-methylphenyl)-5-(3-bromophenyl)-13-dimethyl-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

Cc(cc1)cc(N)c1-n(cc1N(C)C(N2C)=O)c(-c3cccc(Br)c3)c1C2=O

InChI

InChI=1S/C21H19BrN4O2/c1-12-7-8-16(15(23)9-12)26-11-17-18(20(27)25(3)21(28)24(17)2)19(26)13-5-4-6-14(22)10-13/h4-11H,23H2,1-3H3

InChI Key

RUCJXFNXBPINNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14825727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.31

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

4.156

Distribution Coefficient, logD

4.156

Water Solubility, LogSw

-4.54

Polar Surface Area

52.582

Acid Dissociation Constant (pKa)

20.59

Base Dissociation Constant (pKb)

6.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D383-0058 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D383-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D383-0058?
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What is the minimum amount of D383-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D383-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D383-0058
  • 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 D383-0058 available by request