Y032-4105 Screening compound: ethyl 4-{2-[(cyclohexylcarbonyl)amino]benzoyl}tetrahydro-1(2H)-pyrazinecarboxylate

Y032-4105 Screening compound: ethyl 4-{2-[(cyclohexylcarbonyl)amino]benzoyl}tetrahydro-1(2H)-pyrazinecarboxylate
Y032-4105 Screening compound: ethyl 4-{2-[(cyclohexylcarbonyl)amino]benzoyl}tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-4105
ethyl 4-{2-[(cyclohexylcarbonyl)amino]benzoyl}tetrahydro-1(2H)-pyrazinecarboxylate

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

Y032-4105

Molecular Formula

C21H29N3O4 (C21 H29 N3 O4)

Compound Name

ethyl 4-{2-[(cyclohexylcarbonyl)amino]benzoyl}tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-(2-cyclohexaneamidobenzoyl)piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c(cccc1)c1NC(C1CCCCC1)=O)=O)=O

InChI

InChI=1S/C21H29N3O4/c1-2-28-21(27)24-14-12-23(13-15-24)20(26)17-10-6-7-11-18(17)22-19(25)16-8-4-3-5-9-16/h6-7,10-11,16H,2-5,8-9,12-15H2,1H3,(H,22,25)

InChI Key

KRZPAJNKWMZISO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07140522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.957

Distribution Coefficient, logD

2.949

Water Solubility, LogSw

-3.40

Polar Surface Area

62.252

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

Y032-4105 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y032-4105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-4105?
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What is the minimum amount of Y032-4105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-4105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-4105
  • 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 Y032-4105 available by request