Y020-5336 Screening compound: methyl 2-[(4E)-1-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4,5-dihydro-1H-imidazol-4-ylidene]acetate

Y020-5336 Screening compound: methyl 2-[(4E)-1-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4,5-dihydro-1H-imidazol-4-ylidene]acetate
Y020-5336 Screening compound: methyl 2-[(4E)-1-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4,5-dihydro-1H-imidazol-4-ylidene]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5336
methyl 2-[(4E)-1-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4,5-dihydro-1H-imidazol-4-ylidene]acetate

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

Y020-5336

Molecular Formula

C18H15Cl2N5O3 (C18 H15 Cl2 N5 O3)

Compound Name

methyl 2-[(4E)-1-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4,5-dihydro-1H-imidazol-4-ylidene]acetate

IUPAC name

methyl 2-[(4E)-1-(34-dichlorophenyl)-2-[(46-dimethylpyrimidin-2-yl)amino]-5-oxo-45-dihydro-1H-imidazol-4-ylidene]acetate

SMILES

Cc1nc(NC(N(C2=O)c(cc3)cc(Cl)c3Cl)=N/C2=C/C(OC)=O)nc(C)c1

InChI

InChI=1S/C18H15Cl2N5O3/c1-9-6-10(2)22-17(21-9)24-18-23-14(8-15(26)28-3)16(27)25(18)11-4-5-12(19)13(20)7-11/h4-8H,1-3H3,(H,21,22,23,24)

InChI Key

IIBKMBZUENMQNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03225353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.119

Distribution Coefficient, logD

3.090

Water Solubility, LogSw

-3.54

Polar Surface Area

74.018

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

Y020-5336 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-5336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5336?
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What is the minimum amount of Y020-5336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5336
  • 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 Y020-5336 available by request