3448-4403 Screening compound: ethyl [(1,3-benzothiazol-2-yl)carbamoyl]formate

3448-4403 Screening compound: ethyl [(1,3-benzothiazol-2-yl)carbamoyl]formate
3448-4403 Screening compound: ethyl [(1,3-benzothiazol-2-yl)carbamoyl]formate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-4403
ethyl [(1,3-benzothiazol-2-yl)carbamoyl]formate

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

3448-4403

Molecular Formula

C11H10N2O3S (C11 H10 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C11H10N2O3S/c1-2-16-10(15)9(14)13-11-12-7-5-3-4-6-8(7)17-11/h3-6H,2H2,1H3,(H,12,13,14)

InChI Key

JQWLWTCFGLPVHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02019125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.661

Distribution Coefficient, logD

2.425

Water Solubility, LogSw

-3.06

Polar Surface Area

54.116

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3448-4403 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3448-4403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-4403?
Check Price and Availability of 3448-4403, 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 3448-4403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-4403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-4403
  • 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 3448-4403 available by request