C098-0074 Screening compound: ethyl 2-[(2,2-dimethylpropanoyl)imino]-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

C098-0074 Screening compound: ethyl 2-[(2,2-dimethylpropanoyl)imino]-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
C098-0074 Screening compound: ethyl 2-[(2,2-dimethylpropanoyl)imino]-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C098-0074
ethyl 2-[(2,2-dimethylpropanoyl)imino]-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

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

C098-0074

Molecular Formula

C22H26N4O4 (C22 H26 N4 O4)

Compound Name

ethyl 2-[(2,2-dimethylpropanoyl)imino]-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

IUPAC name

ethyl (6Z)-6-[(22-dimethylpropanoyl)imino]-2-oxo-7-propyl-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxylate

SMILES

CCCN(/C(/C(C(OCC)=O)=C1)=N\C(C(C)(C)C)=O)C(N=C2N3C=CC=C2)=C1C3=O

InChI

InChI=1S/C22H26N4O4/c1-6-11-26-17-14(19(27)25-12-9-8-10-16(25)23-17)13-15(20(28)30-7-2)18(26)24-21(29)22(3,4)5/h8-10,12-13H,6-7,11H2,1-5H3

InChI Key

KNTCDUVWDBPFRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04413816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.726

Distribution Coefficient, logD

2.720

Water Solubility, LogSw

-2.46

Polar Surface Area

70.216

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C098-0074 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with C098-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C098-0074?
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What is the minimum amount of C098-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C098-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C098-0074
  • 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 C098-0074 available by request