G795-0408 Screening compound: ethyl 1-[3-(1,2-benzothiazole-3-amido)-4-methylbenzoyl]piperidine-4-carboxylate

G795-0408 Screening compound: ethyl 1-[3-(1,2-benzothiazole-3-amido)-4-methylbenzoyl]piperidine-4-carboxylate
G795-0408 Screening compound: ethyl 1-[3-(1,2-benzothiazole-3-amido)-4-methylbenzoyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G795-0408
ethyl 1-[3-(1,2-benzothiazole-3-amido)-4-methylbenzoyl]piperidine-4-carboxylate

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

G795-0408

Molecular Formula

C24H25N3O4S (C24 H25 N3 O4 S)

Compound Name

ethyl 1-[3-(1,2-benzothiazole-3-amido)-4-methylbenzoyl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[3-(12-benzothiazole-3-amido)-4-methylbenzoyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c1cc(NC(c2nsc3c2cccc3)=O)c(C)cc1)=O)=O

InChI

InChI=1S/C24H25N3O4S/c1-3-31-24(30)16-10-12-27(13-11-16)23(29)17-9-8-15(2)19(14-17)25-22(28)21-18-6-4-5-7-20(18)32-26-21/h4-9,14,16H,3,10-13H2,1-2H3,(H,25,28)

InChI Key

ZNXJYXVOEDKLRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27159750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.744

Distribution Coefficient, logD

3.744

Water Solubility, LogSw

-3.92

Polar Surface Area

71.024

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G795-0408 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G795-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G795-0408?
Check Price and Availability of G795-0408, 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 G795-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G795-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G795-0408
  • 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 G795-0408 available by request