Y020-5867 Screening compound: 3-(2,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-oxo-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid

Y020-5867 Screening compound: 3-(2,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-oxo-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
Y020-5867 Screening compound: 3-(2,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-oxo-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5867
3-(2,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-oxo-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid

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

Y020-5867

Molecular Formula

C17H15Cl2N5O3 (C17 H15 Cl2 N5 O3)

Compound Name

3-(2,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-oxo-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid

IUPAC name

3-(24-dichlorophenyl)-2-[(46-dimethylpyrimidin-2-yl)amino]-6-oxo-3456-tetrahydropyrimidine-4-carboxylic acid

SMILES

Cc1nc(NC(N(C(C2)C(O)=O)c(ccc(Cl)c3)c3Cl)=NC2=O)nc(C)c1

InChI

InChI=1S/C17H15Cl2N5O3/c1-8-5-9(2)21-16(20-8)23-17-22-14(25)7-13(15(26)27)24(17)12-4-3-10(18)6-11(12)19/h3-6,13H,7H2,1-2H3,(H,26,27)(H,20,21,22,23,25)/t13-/m0/s1

InChI Key

XDHRFERYYONUNR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03941280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.998

Distribution Coefficient, logD

-1.179

Water Solubility, LogSw

-2.80

Polar Surface Area

81.795

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

7.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

Y020-5867 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-5867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5867?
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What is the minimum amount of Y020-5867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5867
  • 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 Y020-5867 available by request