D718-0078 Screening compound: 2-(2,3-dihydro-1H-indol-1-yl)-N-(4-methylphenyl)-6-oxo-3,4,5,6-tetrahydropyrimidine-4-carboxamide

D718-0078 Screening compound: 2-(2,3-dihydro-1H-indol-1-yl)-N-(4-methylphenyl)-6-oxo-3,4,5,6-tetrahydropyrimidine-4-carboxamide
D718-0078 Screening compound: 2-(2,3-dihydro-1H-indol-1-yl)-N-(4-methylphenyl)-6-oxo-3,4,5,6-tetrahydropyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0078
2-(2,3-dihydro-1H-indol-1-yl)-N-(4-methylphenyl)-6-oxo-3,4,5,6-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

D718-0078

Molecular Formula

C20H20N4O2 (C20 H20 N4 O2)

Compound Name

2-(2,3-dihydro-1H-indol-1-yl)-N-(4-methylphenyl)-6-oxo-3,4,5,6-tetrahydropyrimidine-4-carboxamide

IUPAC name

2-(23-dihydro-1H-indol-1-yl)-N-(4-methylphenyl)-6-oxo-3456-tetrahydropyrimidine-4-carboxamide

SMILES

Cc(cc1)ccc1NC(C(C1)NC(N(CC2)c3c2cccc3)=NC1=O)=O

InChI

InChI=1S/C20H20N4O2/c1-13-6-8-15(9-7-13)21-19(26)16-12-18(25)23-20(22-16)24-11-10-14-4-2-3-5-17(14)24/h2-9,16H,10-12H2,1H3,(H,21,26)(H,22,23,25)/t16-/m1/s1

InChI Key

DKUPVJRRULFPNV-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD06592608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.633

Distribution Coefficient, logD

2.633

Water Solubility, LogSw

-3.13

Polar Surface Area

60.847

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D718-0078 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with D718-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0078?
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What is the minimum amount of D718-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0078
  • 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 D718-0078 available by request