8018-7505 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

8018-7505 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
8018-7505 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-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 8018-7505
6-(2H-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-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

8018-7505

Molecular Formula

C22H19N3O5 (C22 H19 N3 O5)

Compound Name

6-(2H-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

IUPAC name

6-(2H-13-benzodioxol-5-yl)-5-(4-methoxyphenyl)-13-dimethyl-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

CN(c(c(C(N1C)=O)c2-c(cc3)ccc3OC)cn2-c(cc2)cc3c2OCO3)C1=O

InChI

InChI=1S/C22H19N3O5/c1-23-16-11-25(14-6-9-17-18(10-14)30-12-29-17)20(13-4-7-15(28-3)8-5-13)19(16)21(26)24(2)22(23)27/h4-11H,12H2,1-3H3

InChI Key

JAPVXYGDNSMBLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.437

Distribution Coefficient, logD

3.437

Water Solubility, LogSw

-3.76

Polar Surface Area

57.447

Acid Dissociation Constant (pKa)

32.16

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8018-7505 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 8018-7505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7505?
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What is the minimum amount of 8018-7505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7505
  • 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 8018-7505 available by request