Y600-1460 Screening compound: N-(3,4-dichlorophenyl)-4-[2-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexyliden]methyl}amino)ethyl]tetrahydro-1(2H)-pyrazinecarboxamide

Y600-1460 Screening compound: N-(3,4-dichlorophenyl)-4-[2-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexyliden]methyl}amino)ethyl]tetrahydro-1(2H)-pyrazinecarboxamide
Y600-1460 Screening compound: N-(3,4-dichlorophenyl)-4-[2-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexyliden]methyl}amino)ethyl]tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-1460
N-(3,4-dichlorophenyl)-4-[2-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexyliden]methyl}amino)ethyl]tetrahydro-1(2H)-pyrazinecarboxamide

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

Y600-1460

Molecular Formula

C27H30Cl2N4O4 (C27 H30 Cl2 N4 O4)

Compound Name

N-(3,4-dichlorophenyl)-4-[2-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexyliden]methyl}amino)ethyl]tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

N-(34-dichlorophenyl)-4-[2-({[4-(4-methoxyphenyl)-26-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carboxamide

SMILES

COc1ccc(C(CC(C2=CNCCN(CC3)CCN3C(Nc(cc3)cc(Cl)c3Cl)=O)=O)CC2=O)cc1

InChI

InChI=1S/C27H30Cl2N4O4/c1-37-21-5-2-18(3-6-21)19-14-25(34)22(26(35)15-19)17-30-8-9-32-10-12-33(13-11-32)27(36)31-20-4-7-23(28)24(29)16-20/h2-7,16-17,19,30H,8-15H2,1H3,(H,31,36)

InChI Key

LPWZBZSSEODOFX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.816

Distribution Coefficient, logD

3.243

Water Solubility, LogSw

-4.34

Polar Surface Area

76.160

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.04

Y600-1460 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 Y600-1460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-1460?
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What is the minimum amount of Y600-1460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-1460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-1460
  • 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 Y600-1460 available by request