7828-0321 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(piperidin-1-yl)benzamide

7828-0321 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(piperidin-1-yl)benzamide
7828-0321 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(piperidin-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7828-0321
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(piperidin-1-yl)benzamide

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

7828-0321

Molecular Formula

C25H22N4O3S (C25 H22 N4 O3 S)

Compound Name

N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(piperidin-1-yl)benzamide

IUPAC name

N-[3-(13-benzothiazol-2-yl)phenyl]-3-nitro-4-(piperidin-1-yl)benzamide

SMILES

[O-][N+](c(cc(cc1)C(Nc2cccc(-c3nc(cccc4)c4s3)c2)=O)c1N1CCCCC1)=O

InChI

InChI=1S/C25H22N4O3S/c30-24(17-11-12-21(22(16-17)29(31)32)28-13-4-1-5-14-28)26-19-8-6-7-18(15-19)25-27-20-9-2-3-10-23(20)33-25/h2-3,6-12,15-16H,1,4-5,13-14H2,(H,26,30)

InChI Key

NSYNJTZBWRHDCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05810594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.108

Distribution Coefficient, logD

6.108

Water Solubility, LogSw

-6.00

Polar Surface Area

69.011

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

7828-0321 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7828-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7828-0321?
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What is the minimum amount of 7828-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7828-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7828-0321
  • 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 7828-0321 available by request