C858-0665 Screening compound: ethyl 4-[2-(piperidin-1-yl)-1,3-benzothiazole-6-amido]benzoate

C858-0665 Screening compound: ethyl 4-[2-(piperidin-1-yl)-1,3-benzothiazole-6-amido]benzoate
C858-0665 Screening compound: ethyl 4-[2-(piperidin-1-yl)-1,3-benzothiazole-6-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-0665
ethyl 4-[2-(piperidin-1-yl)-1,3-benzothiazole-6-amido]benzoate

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

C858-0665

Molecular Formula

C22H23N3O3S (C22 H23 N3 O3 S)

Compound Name

ethyl 4-[2-(piperidin-1-yl)-1,3-benzothiazole-6-amido]benzoate

IUPAC name

ethyl 4-[2-(piperidin-1-yl)-13-benzothiazole-6-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(cc1)cc2c1nc(N1CCCCC1)s2)=O)=O

InChI

InChI=1S/C22H23N3O3S/c1-2-28-21(27)15-6-9-17(10-7-15)23-20(26)16-8-11-18-19(14-16)29-22(24-18)25-12-4-3-5-13-25/h6-11,14H,2-5,12-13H2,1H3,(H,23,26)

InChI Key

USWQMBOZBMYSDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.380

Distribution Coefficient, logD

5.377

Water Solubility, LogSw

-5.28

Polar Surface Area

57.071

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C858-0665 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 C858-0665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-0665?
Check Price and Availability of C858-0665, 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 C858-0665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-0665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-0665
  • 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 C858-0665 available by request