3483-0200 Screening compound: ethyl 2-[(1,3-benzothiazol-2-yl)carbamoyl]-2-cyclohexylacetate

3483-0200 Screening compound: ethyl 2-[(1,3-benzothiazol-2-yl)carbamoyl]-2-cyclohexylacetate
3483-0200 Screening compound: ethyl 2-[(1,3-benzothiazol-2-yl)carbamoyl]-2-cyclohexylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3483-0200
ethyl 2-[(1,3-benzothiazol-2-yl)carbamoyl]-2-cyclohexylacetate

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

3483-0200

Molecular Formula

C18H22N2O3S (C18 H22 N2 O3 S)

Compound Name

ethyl 2-[(1,3-benzothiazol-2-yl)carbamoyl]-2-cyclohexylacetate

IUPAC name

ethyl 2-[(13-benzothiazol-2-yl)carbamoyl]-2-cyclohexylacetate

SMILES

CCOC(C(C1CCCCC1)C(Nc1nc(cccc2)c2s1)=O)=O

InChI

InChI=1S/C18H22N2O3S/c1-2-23-17(22)15(12-8-4-3-5-9-12)16(21)20-18-19-13-10-6-7-11-14(13)24-18/h6-7,10-12,15H,2-5,8-9H2,1H3,(H,19,20,21)/t15-/m0/s1

InChI Key

LLYVLPLESQFJJC-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00578219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.508

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.15

Polar Surface Area

54.037

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

3483-0200 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3483-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3483-0200?
Check Price and Availability of 3483-0200, 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 3483-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3483-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3483-0200
  • 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 3483-0200 available by request