E823-0258 Screening compound: 3-[3-({4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-benzyl-N-methylpropanamide

E823-0258 Screening compound: 3-[3-({4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-benzyl-N-methylpropanamide
E823-0258 Screening compound: 3-[3-({4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-benzyl-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E823-0258
3-[3-({4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-benzyl-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

E823-0258

Molecular Formula

C29H34N6O3S (C29 H34 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-benzyl-N-methylpropanamide

IUPAC name

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

SMILES

CN(Cc1ccccc1)C(CCc1nc(CN(CC2)CCN2C(CCCc2nc(cccc3)c3s2)=O)no1)=O

InChI

InChI=1S/C29H34N6O3S/c1-33(20-22-8-3-2-4-9-22)28(36)15-14-26-31-25(32-38-26)21-34-16-18-35(19-17-34)29(37)13-7-12-27-30-23-10-5-6-11-24(23)39-27/h2-6,8-11H,7,12-21H2,1H3

InChI Key

VNDRYBBZFDMGPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920565

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

546.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.544

Distribution Coefficient, logD

3.543

Water Solubility, LogSw

-3.73

Polar Surface Area

78.344

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

E823-0258 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 E823-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E823-0258?
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What is the minimum amount of E823-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E823-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E823-0258
  • 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 E823-0258 available by request