8016-1378 Screening compound: 1,3-dimethyl-2,6-dioxo-N-(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-1,2,3,6-tetrahydropyrimidine-4-carboxamide

8016-1378 Screening compound: 1,3-dimethyl-2,6-dioxo-N-(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-1,2,3,6-tetrahydropyrimidine-4-carboxamide
8016-1378 Screening compound: 1,3-dimethyl-2,6-dioxo-N-(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-1,2,3,6-tetrahydropyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1378
1,3-dimethyl-2,6-dioxo-N-(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-1,2,3,6-tetrahydropyrimidine-4-carboxamide

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

8016-1378

Molecular Formula

C16H16N4O4 (C16 H16 N4 O4)

Compound Name

1,3-dimethyl-2,6-dioxo-N-(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-1,2,3,6-tetrahydropyrimidine-4-carboxamide

IUPAC name

13-dimethyl-26-dioxo-N-(2-oxo-1234-tetrahydroquinolin-7-yl)-1236-tetrahydropyrimidine-4-carboxamide

SMILES

CN(C(C=C(C(Nc1cc(NC(CC2)=O)c2cc1)=O)N1C)=O)C1=O

InChI

InChI=1S/C16H16N4O4/c1-19-12(8-14(22)20(2)16(19)24)15(23)17-10-5-3-9-4-6-13(21)18-11(9)7-10/h3,5,7-8H,4,6H2,1-2H3,(H,17,23)(H,18,21)

InChI Key

OZWIOAQQSWYDLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05260478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.438

Distribution Coefficient, logD

0.099

Water Solubility, LogSw

-2.03

Polar Surface Area

80.026

Acid Dissociation Constant (pKa)

7.33

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8016-1378 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-1378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1378?
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What is the minimum amount of 8016-1378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1378
  • 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 8016-1378 available by request