E823-0312 Screening compound: 3-[3-({4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide

E823-0312 Screening compound: 3-[3-({4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide
E823-0312 Screening compound: 3-[3-({4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E823-0312
3-[3-({4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide

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

E823-0312

Molecular Formula

C28H38N6O3S (C28 H38 N6 O3 S)

Compound Name

3-[3-({4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide

IUPAC name

3-[3-({4-[4-(13-benzothiazol-2-yl)butanoyl]piperazin-1-yl}methyl)-124-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide

SMILES

CN(C1CCCCC1)C(CCc1nc(CN(CC2)CCN2C(CCCc2nc(cccc3)c3s2)=O)no1)=O

InChI

InChI=1S/C28H38N6O3S/c1-32(21-8-3-2-4-9-21)27(35)15-14-25-30-24(31-37-25)20-33-16-18-34(19-17-33)28(36)13-7-12-26-29-22-10-5-6-11-23(22)38-26/h5-6,10-11,21H,2-4,7-9,12-20H2,1H3

InChI Key

IFABKWXXQNQWGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920594

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

538.71

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.359

Distribution Coefficient, logD

3.359

Water Solubility, LogSw

-3.61

Polar Surface Area

77.395

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.70

E823-0312 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with E823-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E823-0312?
Check Price and Availability of E823-0312, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E823-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E823-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E823-0312
  • 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 E823-0312 available by request