E022-1455 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanamide

E022-1455 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanamide
E022-1455 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E022-1455
N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanamide

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

E022-1455

Molecular Formula

C26H33N3O2S (C26 H33 N3 O2 S)

Compound Name

N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanamide

IUPAC name

N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-oxo-23-dihydro-12-benzothiazol-2-yl)butanamide

SMILES

O=C(CCCN1Sc(cccc2)c2C1=O)NCCCN1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C26H33N3O2S/c30-25(12-6-17-29-26(31)23-10-4-5-11-24(23)32-29)27-15-7-16-28-18-13-22(14-19-28)20-21-8-2-1-3-9-21/h1-5,8-11,22H,6-7,12-20H2,(H,27,30)

InChI Key

OIGYBQMRBRDXHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.130

Distribution Coefficient, logD

1.038

Water Solubility, LogSw

-3.66

Polar Surface Area

45.630

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

9.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

E022-1455 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with E022-1455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E022-1455?
Check Price and Availability of E022-1455, 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 E022-1455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E022-1455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E022-1455
  • 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 E022-1455 available by request