6055-0098 Screening compound: 6-(5-amino-2,4-dichlorophenyl)-1,3-dimethyl-5-phenyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

6055-0098 Screening compound: 6-(5-amino-2,4-dichlorophenyl)-1,3-dimethyl-5-phenyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
6055-0098 Screening compound: 6-(5-amino-2,4-dichlorophenyl)-1,3-dimethyl-5-phenyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6055-0098
6-(5-amino-2,4-dichlorophenyl)-1,3-dimethyl-5-phenyl-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

6055-0098

Molecular Formula

C20H16Cl2N4O2 (C20 H16 Cl2 N4 O2)

Compound Name

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

IUPAC name

6-(5-amino-24-dichlorophenyl)-13-dimethyl-5-phenyl-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

CN(c(c(C(N1C)=O)c2-c3ccccc3)cn2-c(cc(c(Cl)c2)N)c2Cl)C1=O

InChI

InChI=1S/C20H16Cl2N4O2/c1-24-16-10-26(15-9-14(23)12(21)8-13(15)22)18(11-6-4-3-5-7-11)17(16)19(27)25(2)20(24)28/h3-10H,23H2,1-2H3

InChI Key

XXJGSMISLTWMMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09699080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.28

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

-4.82

Polar Surface Area

52.582

Acid Dissociation Constant (pKa)

19.80

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

6055-0098 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6055-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6055-0098?
Check Price and Availability of 6055-0098, 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 6055-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6055-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6055-0098
  • 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 6055-0098 available by request