8010-2724 Screening compound: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]-2-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-ethanone

8010-2724 Screening compound: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]-2-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-ethanone
8010-2724 Screening compound: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]-2-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2724
1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]-2-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-ethanone

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

8010-2724

Molecular Formula

C20H18N8O3S2 (C20 H18 N8 O3 S2)

Compound Name

1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]-2-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-ethanone

IUPAC name

1-[4-(6-nitro-13-benzothiazol-2-yl)piperazin-1-yl]-2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]ethan-1-one

SMILES

[O-][N+](c(cc1)cc2c1nc(N(CC1)CCN1C(CSc1nnnn1-c1ccccc1)=O)s2)=O

InChI

InChI=1S/C20H18N8O3S2/c29-18(13-32-20-22-23-24-27(20)14-4-2-1-3-5-14)25-8-10-26(11-9-25)19-21-16-7-6-15(28(30)31)12-17(16)33-19/h1-7,12H,8-11,13H2

InChI Key

LSIRYQVEARZMQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01797125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.452

Distribution Coefficient, logD

3.452

Water Solubility, LogSw

-3.81

Polar Surface Area

102.459

Acid Dissociation Constant (pKa)

20.24

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8010-2724 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 8010-2724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2724?
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What is the minimum amount of 8010-2724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2724
  • 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 8010-2724 available by request