8020-7908 Screening compound: 3-(4-amino-2-morpholino-6-oxo-1,6-dihydro-5-pyrimidinyl)-1-(1,3-benzodioxol-5-yl)dihydro-1H-pyrrole-2,5-dione

8020-7908 Screening compound: 3-(4-amino-2-morpholino-6-oxo-1,6-dihydro-5-pyrimidinyl)-1-(1,3-benzodioxol-5-yl)dihydro-1H-pyrrole-2,5-dione
8020-7908 Screening compound: 3-(4-amino-2-morpholino-6-oxo-1,6-dihydro-5-pyrimidinyl)-1-(1,3-benzodioxol-5-yl)dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-7908
3-(4-amino-2-morpholino-6-oxo-1,6-dihydro-5-pyrimidinyl)-1-(1,3-benzodioxol-5-yl)dihydro-1H-pyrrole-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

8020-7908

Molecular Formula

C19H19N5O6 (C19 H19 N5 O6)

Compound Name

3-(4-amino-2-morpholino-6-oxo-1,6-dihydro-5-pyrimidinyl)-1-(1,3-benzodioxol-5-yl)dihydro-1H-pyrrole-2,5-dione

IUPAC name

3-[4-amino-2-(morpholin-4-yl)-6-oxo-16-dihydropyrimidin-5-yl]-1-(2H-13-benzodioxol-5-yl)pyrrolidine-25-dione

SMILES

NC(N=C(N1)N2CCOCC2)=C(C(CC(N2c(cc3)cc4c3OCO4)=O)C2=O)C1=O

InChI

InChI=1S/C19H19N5O6/c20-16-15(17(26)22-19(21-16)23-3-5-28-6-4-23)11-8-14(25)24(18(11)27)10-1-2-12-13(7-10)30-9-29-12/h1-2,7,11H,3-6,8-9H2,(H3,20,21,22,26)/t11-/m1/s1

InChI Key

FTIVEQMIHWUILT-LLVKDONJSA-N

MDL Number (MFCD)

MFCD30711426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.973

Distribution Coefficient, logD

-0.973

Water Solubility, LogSw

-1.89

Polar Surface Area

113.224

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

8020-7908 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8020-7908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-7908?
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What is the minimum amount of 8020-7908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-7908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-7908
  • 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 8020-7908 available by request