Y020-9770 Screening compound: ethyl 2-[(4-chlorophenyl)amino]-4-methylpyrimidine-5-carboxylate

Y020-9770 Screening compound: ethyl 2-[(4-chlorophenyl)amino]-4-methylpyrimidine-5-carboxylate
Y020-9770 Screening compound: ethyl 2-[(4-chlorophenyl)amino]-4-methylpyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-9770
ethyl 2-[(4-chlorophenyl)amino]-4-methylpyrimidine-5-carboxylate

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

Y020-9770

Molecular Formula

C14H14ClN3O2 (C14 H14 ClN3 O2)

Compound Name

ethyl 2-[(4-chlorophenyl)amino]-4-methylpyrimidine-5-carboxylate

IUPAC name

ethyl 2-[(4-chlorophenyl)amino]-4-methylpyrimidine-5-carboxylate

SMILES

CCOC(c1c(C)nc(Nc(cc2)ccc2Cl)nc1)=O

InChI

InChI=1S/C14H14ClN3O2/c1-3-20-13(19)12-8-16-14(17-9(12)2)18-11-6-4-10(15)5-7-11/h4-8H,3H2,1-2H3,(H,16,17,18)

InChI Key

MVTUIVLRWDMZJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19103602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.709

Distribution Coefficient, logD

3.709

Water Solubility, LogSw

-4.17

Polar Surface Area

50.708

Acid Dissociation Constant (pKa)

15.38

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

Y020-9770 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y020-9770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-9770?
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What is the minimum amount of Y020-9770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-9770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-9770
  • 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 Y020-9770 available by request