8018-9321 Screening compound: 1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4-(thiophene-2-sulfonyl)piperazine

8018-9321 Screening compound: 1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4-(thiophene-2-sulfonyl)piperazine
8018-9321 Screening compound: 1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4-(thiophene-2-sulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9321
1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4-(thiophene-2-sulfonyl)piperazine

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

8018-9321

Molecular Formula

C17H16N4O4S3 (C17 H16 N4 O4 S3)

Compound Name

1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4-(thiophene-2-sulfonyl)piperazine

IUPAC name

1-[4-(3-nitrophenyl)-13-thiazol-2-yl]-4-(thiophene-2-sulfonyl)piperazine

SMILES

[O-][N+](c1cccc(-c2csc(N(CC3)CCN3S(c3cccs3)(=O)=O)n2)c1)=O

InChI

InChI=1S/C17H16N4O4S3/c22-21(23)14-4-1-3-13(11-14)15-12-27-17(18-15)19-6-8-20(9-7-19)28(24,25)16-5-2-10-26-16/h1-5,10-12H,6-9H2

InChI Key

CNVPJPQJNJSMDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.128

Distribution Coefficient, logD

4.128

Water Solubility, LogSw

-4.33

Polar Surface Area

79.158

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8018-9321 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 8018-9321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9321?
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What is the minimum amount of 8018-9321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9321
  • 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 8018-9321 available by request