Y020-0542 Screening compound: 3-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-oxo-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid

Y020-0542 Screening compound: 3-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-oxo-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
Y020-0542 Screening compound: 3-(3,4-dimethylphenyl)-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 Y020-0542
3-(3,4-dimethylphenyl)-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

Y020-0542

Molecular Formula

C19H21N5O3 (C19 H21 N5 O3)

Compound Name

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

IUPAC name

3-(34-dimethylphenyl)-2-[(46-dimethylpyrimidin-2-yl)amino]-6-oxo-3456-tetrahydropyrimidine-4-carboxylic acid

SMILES

Cc(cc1)c(C)cc1N(C(C1)C(O)=O)C(Nc2nc(C)cc(C)n2)=NC1=O

InChI

InChI=1S/C19H21N5O3/c1-10-5-6-14(7-11(10)2)24-15(17(26)27)9-16(25)22-19(24)23-18-20-12(3)8-13(4)21-18/h5-8,15H,9H2,1-4H3,(H,26,27)(H,20,21,22,23,25)/t15-/m1/s1

InChI Key

NBVXJMFETHPWHP-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03821437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.41

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

1.943

Distribution Coefficient, logD

1.943

Water Solubility, LogSw

-2.45

Polar Surface Area

82.096

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

8.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

Y020-0542 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y020-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0542?
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What is the minimum amount of Y020-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0542
  • 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 Y020-0542 available by request