Y043-6590 Screening compound: 4-(4-chlorophenyl)-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]tetrahydro-1(2H)-pyrazinecarboxamide

Y043-6590 Screening compound: 4-(4-chlorophenyl)-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]tetrahydro-1(2H)-pyrazinecarboxamide
Y043-6590 Screening compound: 4-(4-chlorophenyl)-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-6590
4-(4-chlorophenyl)-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]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

Y043-6590

Molecular Formula

C21H25ClN4O4 (C21 H25 ClN4 O4)

Compound Name

4-(4-chlorophenyl)-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

2-{[4-(4-chlorophenyl)piperazine-1-carbonyl]amino}-N-(35-dimethoxyphenyl)acetamide

SMILES

COc1cc(NC(CNC(N(CC2)CCN2c(cc2)ccc2Cl)=O)=O)cc(OC)c1

InChI

InChI=1S/C21H25ClN4O4/c1-29-18-11-16(12-19(13-18)30-2)24-20(27)14-23-21(28)26-9-7-25(8-10-26)17-5-3-15(22)4-6-17/h3-6,11-13H,7-10,14H2,1-2H3,(H,23,28)(H,24,27)

InChI Key

SDMPYQOAYSMEPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19711341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.520

Distribution Coefficient, logD

3.519

Water Solubility, LogSw

-3.85

Polar Surface Area

68.527

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with Y043-6590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-6590?
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What is the minimum amount of Y043-6590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-6590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-6590
  • 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 Y043-6590 available by request