3795-0262 Screening compound: 17-(1-benzyl-2-oxo-2-piperidinoethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione

3795-0262 Screening compound: 17-(1-benzyl-2-oxo-2-piperidinoethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione
3795-0262 Screening compound: 17-(1-benzyl-2-oxo-2-piperidinoethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3795-0262
17-(1-benzyl-2-oxo-2-piperidinoethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione

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

3795-0262

Molecular Formula

C32H30N2O3 (C32 H30 N2 O3)

Compound Name

17-(1-benzyl-2-oxo-2-piperidinoethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione

IUPAC name

17-[1-oxo-3-phenyl-1-(piperidin-1-yl)propan-2-yl]-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2469(14)1012-hexaene-1618-dione

SMILES

O=C(C(Cc1ccccc1)N(C(C(C1C2c3c4cccc3)C4c3c2cccc3)=O)C1=O)N1CCCCC1

InChI

InChI=1S/C32H30N2O3/c35-30(33-17-9-2-10-18-33)25(19-20-11-3-1-4-12-20)34-31(36)28-26-21-13-5-6-14-22(21)27(29(28)32(34)37)24-16-8-7-15-23(24)26/h1,3-8,11-16,25-29H,2,9-10,17-19H2

InChI Key

IEJKRCHERHKONA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02614299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.504

Distribution Coefficient, logD

4.504

Water Solubility, LogSw

-4.45

Polar Surface Area

44.635

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

34.40

3795-0262 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 3795-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3795-0262?
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What is the minimum amount of 3795-0262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3795-0262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3795-0262
  • 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 3795-0262 available by request