8019-3518 Screening compound: 1-methyl-4-(4-methylphenyl)-6-(4-nitrophenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

8019-3518 Screening compound: 1-methyl-4-(4-methylphenyl)-6-(4-nitrophenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
8019-3518 Screening compound: 1-methyl-4-(4-methylphenyl)-6-(4-nitrophenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3518
1-methyl-4-(4-methylphenyl)-6-(4-nitrophenyl)-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

8019-3518

Molecular Formula

C20H18N4O4 (C20 H18 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(C(C(N(C2)c(cc3)ccc3[N+]([O-])=O)=O)=C2N2C)NC2=O)cc1

InChI

InChI=1S/C20H18N4O4/c1-12-3-5-13(6-4-12)18-17-16(22(2)20(26)21-18)11-23(19(17)25)14-7-9-15(10-8-14)24(27)28/h3-10,18H,11H2,1-2H3,(H,21,26)/t18-/m1/s1

InChI Key

KSILGLFOEUIHIV-GOSISDBHSA-N

MDL Number (MFCD)

MFCD09064431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.744

Distribution Coefficient, logD

2.493

Water Solubility, LogSw

-3.15

Polar Surface Area

77.438

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

-5.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8019-3518 in Drug Discovery

Included in Screening Libraries

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 8019-3518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3518?
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What is the minimum amount of 8019-3518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3518
  • 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 8019-3518 available by request