Y043-6580 Screening compound: N-{2-[(3-isopropyl-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl}-4-phenyltetrahydro-1(2H)-pyrazinecarboxamide

Y043-6580 Screening compound: N-{2-[(3-isopropyl-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl}-4-phenyltetrahydro-1(2H)-pyrazinecarboxamide
Y043-6580 Screening compound: N-{2-[(3-isopropyl-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl}-4-phenyltetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-6580
N-{2-[(3-isopropyl-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl}-4-phenyltetrahydro-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

Y043-6580

Molecular Formula

C18H25N7O2 (C18 H25 N7 O2)

Compound Name

N-{2-[(3-isopropyl-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl}-4-phenyltetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

2-[(4-phenylpiperazine-1-carbonyl)amino]-N-[3-(propan-2-yl)-1H-124-triazol-5-yl]acetamide

SMILES

CC(C)c1n[nH]c(NC(CNC(N(CC2)CCN2c2ccccc2)=O)=O)n1

InChI

InChI=1S/C18H25N7O2/c1-13(2)16-21-17(23-22-16)20-15(26)12-19-18(27)25-10-8-24(9-11-25)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,19,27)(H2,20,21,22,23,26)

InChI Key

YEBGCZALJCJRAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD24861063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.652

Distribution Coefficient, logD

1.642

Water Solubility, LogSw

-2.08

Polar Surface Area

88.630

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

References: we are preparing a list of scientific research reports with Y043-6580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-6580?
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What is the minimum amount of Y043-6580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-6580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-6580
  • 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 Y043-6580 available by request