8019-7638 Screening compound: 6-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

8019-7638 Screening compound: 6-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
8019-7638 Screening compound: 6-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7638
6-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-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

8019-7638

Molecular Formula

C22H23N3O3 (C22 H23 N3 O3)

Compound Name

6-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

IUPAC name

6-(35-dimethylphenyl)-4-(4-methoxyphenyl)-1-methyl-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

Cc1cc(N(CC(N2C)=C3C(c(cc4)ccc4OC)NC2=O)C3=O)cc(C)c1

InChI

InChI=1S/C22H23N3O3/c1-13-9-14(2)11-16(10-13)25-12-18-19(21(25)26)20(23-22(27)24(18)3)15-5-7-17(28-4)8-6-15/h5-11,20H,12H2,1-4H3,(H,23,27)/t20-/m0/s1

InChI Key

NGFGSFWXESXUDO-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD10039406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.363

Distribution Coefficient, logD

3.331

Water Solubility, LogSw

-3.54

Polar Surface Area

51.600

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

8019-7638 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-7638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7638?
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What is the minimum amount of 8019-7638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7638
  • 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 8019-7638 available by request