D718-0135 Screening compound: N-(2-ethoxyphenyl)-6-oxo-2-(phenylamino)-3,4,5,6-tetrahydropyrimidine-4-carboxamide

D718-0135 Screening compound: N-(2-ethoxyphenyl)-6-oxo-2-(phenylamino)-3,4,5,6-tetrahydropyrimidine-4-carboxamide
D718-0135 Screening compound: N-(2-ethoxyphenyl)-6-oxo-2-(phenylamino)-3,4,5,6-tetrahydropyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0135
N-(2-ethoxyphenyl)-6-oxo-2-(phenylamino)-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

D718-0135

Molecular Formula

C19H20N4O3 (C19 H20 N4 O3)

Compound Name

N-(2-ethoxyphenyl)-6-oxo-2-(phenylamino)-3,4,5,6-tetrahydropyrimidine-4-carboxamide

IUPAC name

N-(2-ethoxyphenyl)-6-oxo-2-(phenylamino)-3456-tetrahydropyrimidine-4-carboxamide

SMILES

CCOc(cccc1)c1NC(C(C1)NC(Nc2ccccc2)=NC1=O)=O

InChI

InChI=1S/C19H20N4O3/c1-2-26-16-11-7-6-10-14(16)21-18(25)15-12-17(24)23-19(22-15)20-13-8-4-3-5-9-13/h3-11,15H,2,12H2,1H3,(H,21,25)(H2,20,22,23,24)/t15-/m1/s1

InChI Key

SADNDWRPNZSFDF-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD08131410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.281

Distribution Coefficient, logD

2.281

Water Solubility, LogSw

-2.82

Polar Surface Area

74.930

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

D718-0135 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D718-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0135?
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What is the minimum amount of D718-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0135
  • 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 D718-0135 available by request