Y020-7294 Screening compound: 2-(4-benzylpiperazin-1-yl)-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]acetamide

Y020-7294 Screening compound: 2-(4-benzylpiperazin-1-yl)-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]acetamide
Y020-7294 Screening compound: 2-(4-benzylpiperazin-1-yl)-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7294
2-(4-benzylpiperazin-1-yl)-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]acetamide

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

Y020-7294

Molecular Formula

C22H23N5O5S2 (C22 H23 N5 O5 S2)

Compound Name

2-(4-benzylpiperazin-1-yl)-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]acetamide

IUPAC name

2-(4-benzylpiperazin-1-yl)-N-[5-(4-nitrobenzenesulfonyl)-13-thiazol-2-yl]acetamide

SMILES

[O-][N+](c(cc1)ccc1S(c1cnc(NC(CN2CCN(Cc3ccccc3)CC2)=O)s1)(=O)=O)=O

InChI

InChI=1S/C22H23N5O5S2/c28-20(16-26-12-10-25(11-13-26)15-17-4-2-1-3-5-17)24-22-23-14-21(33-22)34(31,32)19-8-6-18(7-9-19)27(29)30/h1-9,14H,10-13,15-16H2,(H,23,24,28)

InChI Key

ALTCKINKDHYADR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06192456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.59

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.436

Distribution Coefficient, logD

3.291

Water Solubility, LogSw

-3.50

Polar Surface Area

104.111

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

6.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

Y020-7294 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-7294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7294?
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What is the minimum amount of Y020-7294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7294
  • 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 Y020-7294 available by request