2469-0816 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-(benzyloxy)benzamide

2469-0816 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-(benzyloxy)benzamide
2469-0816 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-(benzyloxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2469-0816
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-(benzyloxy)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

2469-0816

Molecular Formula

C28H22N2O2S (C28 H22 N2 O2 S)

Compound Name

N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-(benzyloxy)benzamide

IUPAC name

N-[3-(13-benzothiazol-2-yl)-2-methylphenyl]-4-(benzyloxy)benzamide

SMILES

Cc(c(NC(c(cc1)ccc1OCc1ccccc1)=O)ccc1)c1-c1nc(cccc2)c2s1

InChI

InChI=1S/C28H22N2O2S/c1-19-23(28-30-25-11-5-6-13-26(25)33-28)10-7-12-24(19)29-27(31)21-14-16-22(17-15-21)32-18-20-8-3-2-4-9-20/h2-17H,18H2,1H3,(H,29,31)

InChI Key

NTXBTYZUNAINHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.772

Distribution Coefficient, logD

6.772

Water Solubility, LogSw

-5.78

Polar Surface Area

39.308

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

2469-0816 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 2469-0816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2469-0816?
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What is the minimum amount of 2469-0816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2469-0816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2469-0816
  • 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 2469-0816 available by request