8001-3297 Screening compound: N-(3,4-dimethylphenyl)-3-{[(naphthalen-2-yl)carbamothioyl]oxy}benzamide

8001-3297 Screening compound: N-(3,4-dimethylphenyl)-3-{[(naphthalen-2-yl)carbamothioyl]oxy}benzamide
8001-3297 Screening compound: N-(3,4-dimethylphenyl)-3-{[(naphthalen-2-yl)carbamothioyl]oxy}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-3297
N-(3,4-dimethylphenyl)-3-{[(naphthalen-2-yl)carbamothioyl]oxy}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

8001-3297

Molecular Formula

C26H22N2O2S (C26 H22 N2 O2 S)

Compound Name

N-(3,4-dimethylphenyl)-3-{[(naphthalen-2-yl)carbamothioyl]oxy}benzamide

IUPAC name

N-(34-dimethylphenyl)-3-{[(naphthalen-2-yl)carbamothioyl]oxy}benzamide

SMILES

Cc(cc1)c(C)cc1NC(c1cccc(OC(Nc2cc3ccccc3cc2)=S)c1)=O

InChI

InChI=1S/C26H22N2O2S/c1-17-10-12-22(14-18(17)2)27-25(29)21-8-5-9-24(16-21)30-26(31)28-23-13-11-19-6-3-4-7-20(19)15-23/h3-16H,1-2H3,(H,27,29)(H,28,31)

InChI Key

RAAKYXMAHCPMRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00731654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.001

Distribution Coefficient, logD

7.001

Water Solubility, LogSw

-6.79

Polar Surface Area

40.098

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8001-3297 in Drug Discovery

Included in Screening Libraries

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 8001-3297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-3297?
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What is the minimum amount of 8001-3297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-3297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-3297
  • 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 8001-3297 available by request