8020-1480 Screening compound: 4,6-bis(4-chlorophenyl)-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

8020-1480 Screening compound: 4,6-bis(4-chlorophenyl)-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
8020-1480 Screening compound: 4,6-bis(4-chlorophenyl)-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 8020-1480
4,6-bis(4-chlorophenyl)-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

8020-1480

Molecular Formula

C19H15Cl2N3O2 (C19 H15 Cl2 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H15Cl2N3O2/c1-23-15-10-24(14-8-6-13(21)7-9-14)18(25)16(15)17(22-19(23)26)11-2-4-12(20)5-3-11/h2-9,17H,10H2,1H3,(H,22,26)/t17-/m1/s1

InChI Key

QEOBEFDWWRTCEL-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD12035268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.585

Distribution Coefficient, logD

3.098

Water Solubility, LogSw

-4.20

Polar Surface Area

44.056

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

8020-1480 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-1480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1480?
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What is the minimum amount of 8020-1480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1480
  • 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 8020-1480 available by request