Y043-6587 Screening compound: 4-(3,4-dichlorophenyl)-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]tetrahydro-1(2H)-pyrazinecarboxamide

Y043-6587 Screening compound: 4-(3,4-dichlorophenyl)-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]tetrahydro-1(2H)-pyrazinecarboxamide
Y043-6587 Screening compound: 4-(3,4-dichlorophenyl)-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-6587
4-(3,4-dichlorophenyl)-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)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

Y043-6587

Molecular Formula

C15H17Cl2N7O2 (C15 H17 Cl2 N7 O2)

Compound Name

4-(3,4-dichlorophenyl)-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

2-{[4-(34-dichlorophenyl)piperazine-1-carbonyl]amino}-N-(1H-124-triazol-5-yl)acetamide

SMILES

O=C(CNC(N(CC1)CCN1c(cc1)cc(Cl)c1Cl)=O)Nc1ncn[nH]1

InChI

InChI=1S/C15H17Cl2N7O2/c16-11-2-1-10(7-12(11)17)23-3-5-24(6-4-23)15(26)18-8-13(25)21-14-19-9-20-22-14/h1-2,7,9H,3-6,8H2,(H,18,26)(H2,19,20,21,22,25)

InChI Key

FPXQAWKAYVFUGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30836108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.594

Distribution Coefficient, logD

1.586

Water Solubility, LogSw

-2.62

Polar Surface Area

90.277

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y043-6587 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y043-6587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-6587?
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What is the minimum amount of Y043-6587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-6587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-6587
  • 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 Y043-6587 available by request