8018-0180 Screening compound: 5-(1,3-benzodioxol-5-yl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione

8018-0180 Screening compound: 5-(1,3-benzodioxol-5-yl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
8018-0180 Screening compound: 5-(1,3-benzodioxol-5-yl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0180
5-(1,3-benzodioxol-5-yl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione

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

8018-0180

Molecular Formula

C16H15N3O5 (C16 H15 N3 O5)

Compound Name

5-(1,3-benzodioxol-5-yl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione

IUPAC name

5-(2H-13-benzodioxol-5-yl)-13-dimethyl-1H2H3H4H5H6H7H8H-pyrido[23-d]pyrimidine-247-trione

SMILES

CN(C(C(C(CC(N1)=O)c(cc2)cc3c2OCO3)=C1N1C)=O)C1=O

InChI

InChI=1S/C16H15N3O5/c1-18-14-13(15(21)19(2)16(18)22)9(6-12(20)17-14)8-3-4-10-11(5-8)24-7-23-10/h3-5,9H,6-7H2,1-2H3,(H,17,20)/t9-/m1/s1

InChI Key

WJJKFOKENCBHNU-SECBINFHSA-N

MDL Number (MFCD)

MFCD07021916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.082

Distribution Coefficient, logD

1.073

Water Solubility, LogSw

-2.13

Polar Surface Area

72.993

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

-5.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.25

8018-0180 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Akt-Targeted Library (14764 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Mimetics
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8018-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0180?
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What is the minimum amount of 8018-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0180
  • 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 8018-0180 available by request