Y010-1966 Screening compound: 5-{(E)-1-[(4-fluorobenzyl)amino]ethylidene}-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

Y010-1966 Screening compound: 5-{(E)-1-[(4-fluorobenzyl)amino]ethylidene}-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Y010-1966 Screening compound: 5-{(E)-1-[(4-fluorobenzyl)amino]ethylidene}-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1966
5-{(E)-1-[(4-fluorobenzyl)amino]ethylidene}-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

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

Y010-1966

Molecular Formula

C20H18FN3O3 (C20 H18 FN3 O3)

Compound Name

5-{(E)-1-[(4-fluorobenzyl)amino]ethylidene}-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

IUPAC name

(5E)-5-(1-{[(4-fluorophenyl)methyl]amino}ethylidene)-1-(4-methylphenyl)-13-diazinane-246-trione

SMILES

C/C(/NCc(cc1)ccc1F)=C(/C(NC(N1c2ccc(C)cc2)=O)=O)\C1=O

InChI

InChI=1S/C20H18FN3O3/c1-12-3-9-16(10-4-12)24-19(26)17(18(25)23-20(24)27)13(2)22-11-14-5-7-15(21)8-6-14/h3-10,22H,11H2,1-2H3,(H,23,25,27)

InChI Key

HJOKZENWGZDNOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04032139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.232

Distribution Coefficient, logD

1.527

Water Solubility, LogSw

-2.78

Polar Surface Area

64.934

Acid Dissociation Constant (pKa)

6.79

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

Y010-1966 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 Y010-1966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1966?
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What is the minimum amount of Y010-1966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1966
  • 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 Y010-1966 available by request