8004-9029 Screening compound: N-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide

8004-9029 Screening compound: N-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
8004-9029 Screening compound: N-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9029
N-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide

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

8004-9029

Molecular Formula

C24H14N4O5S2 (C24 H14 N4 O5 S2)

Compound Name

N-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide

IUPAC name

N-{4-[(4-nitrophenyl)sulfanyl]phenyl}-13-dioxo-2-(13-thiazol-2-yl)-23-dihydro-1H-isoindole-5-carboxamide

SMILES

[O-][N+](c(cc1)ccc1Sc(cc1)ccc1NC(c(cc1)cc(C(N2c3nccs3)=O)c1C2=O)=O)=O

InChI

InChI=1S/C24H14N4O5S2/c29-21(14-1-10-19-20(13-14)23(31)27(22(19)30)24-25-11-12-34-24)26-15-2-6-17(7-3-15)35-18-8-4-16(5-9-18)28(32)33/h1-13H,(H,26,29)

InChI Key

PZVBIWRELKFLCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00315629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.254

Distribution Coefficient, logD

5.252

Water Solubility, LogSw

-5.48

Polar Surface Area

95.333

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-9029 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8004-9029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-9029?
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What is the minimum amount of 8004-9029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9029
  • 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 8004-9029 available by request