8020-1477 Screening compound: 4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

8020-1477 Screening compound: 4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
8020-1477 Screening compound: 4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-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 8020-1477
4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-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

8020-1477

Molecular Formula

C19H16ClN3O3 (C19 H16 ClN3 O3)

Compound Name

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

IUPAC name

4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-1-methyl-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

CN(C(CN1c(cc2)ccc2O)=C(C(c(cc2)ccc2Cl)N2)C1=O)C2=O

InChI

InChI=1S/C19H16ClN3O3/c1-22-15-10-23(13-6-8-14(24)9-7-13)18(25)16(15)17(21-19(22)26)11-2-4-12(20)5-3-11/h2-9,17,24H,10H2,1H3,(H,21,26)/t17-/m1/s1

InChI Key

XNMIHFNVXJFTGQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD12035265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.370

Distribution Coefficient, logD

1.884

Water Solubility, LogSw

-3.23

Polar Surface Area

61.673

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

8020-1477 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Carbonic Anhydrase II Library (4939 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 8020-1477 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8020-1477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1477
  • 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 8020-1477 available by request