8018-0963 Screening compound: 6-amino-5-[6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

8018-0963 Screening compound: 6-amino-5-[6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
8018-0963 Screening compound: 6-amino-5-[6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0963
6-amino-5-[6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-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

8018-0963

Molecular Formula

C21H20N6O6 (C21 H20 N6 O6)

Compound Name

6-amino-5-[6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

6-amino-5-[6-(2H-13-benzodioxol-5-yl)-13-dimethyl-24-dioxo-1H2H3H4H7H-pyrrolo[23-d]pyrimidin-5-yl]-13-dimethyl-1234-tetrahydropyrimidine-24-dione

SMILES

CN(c([nH]c(-c(cc1)cc2c1OCO2)c1C(C(N2C)=O)=C(N)N(C)C2=O)c1C(N1C)=O)C1=O

InChI

InChI=1S/C21H20N6O6/c1-24-16(22)13(18(28)26(3)20(24)30)12-14-17(25(2)21(31)27(4)19(14)29)23-15(12)9-5-6-10-11(7-9)33-8-32-10/h5-7,23H,8,22H2,1-4H3

InChI Key

BNLIUHFSOLKKQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.409

Distribution Coefficient, logD

1.409

Water Solubility, LogSw

-2.14

Polar Surface Area

111.772

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

8018-0963 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8018-0963 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8018-0963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0963
  • 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 8018-0963 available by request