Y205-5513 Screening compound: N~1~-(2,4-dimethoxyphenyl)-4-[(3,4-dimethylphenyl)sulfonyl]tetrahydro-1(2H)-pyrazinecarboxamide

Y205-5513 Screening compound: N~1~-(2,4-dimethoxyphenyl)-4-[(3,4-dimethylphenyl)sulfonyl]tetrahydro-1(2H)-pyrazinecarboxamide
Y205-5513 Screening compound: N~1~-(2,4-dimethoxyphenyl)-4-[(3,4-dimethylphenyl)sulfonyl]tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-5513
N~1~-(2,4-dimethoxyphenyl)-4-[(3,4-dimethylphenyl)sulfonyl]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

Y205-5513

Molecular Formula

C21H27N3O5S (C21 H27 N3 O5 S)

Compound Name

N~1~-(2,4-dimethoxyphenyl)-4-[(3,4-dimethylphenyl)sulfonyl]tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

N-(24-dimethoxyphenyl)-4-(34-dimethylbenzenesulfonyl)piperazine-1-carboxamide

SMILES

Cc(cc1)c(C)cc1S(N(CC1)CCN1C(Nc(ccc(OC)c1)c1OC)=O)(=O)=O

InChI

InChI=1S/C21H27N3O5S/c1-15-5-7-18(13-16(15)2)30(26,27)24-11-9-23(10-12-24)21(25)22-19-8-6-17(28-3)14-20(19)29-4/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)

InChI Key

CCBJGSXAKDAUNB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.691

Distribution Coefficient, logD

3.691

Water Solubility, LogSw

-3.98

Polar Surface Area

71.703

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

Y205-5513 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 Y205-5513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-5513?
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What is the minimum amount of Y205-5513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-5513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-5513
  • 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 Y205-5513 available by request