2291-3061 Screening compound: (1,3-benzothiazol-2-yl)methyl 4-fluorobenzoate

2291-3061 Screening compound: (1,3-benzothiazol-2-yl)methyl 4-fluorobenzoate
2291-3061 Screening compound: (1,3-benzothiazol-2-yl)methyl 4-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2291-3061
(1,3-benzothiazol-2-yl)methyl 4-fluorobenzoate

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

2291-3061

Molecular Formula

C15H10FNO2S (C15 H10 FNO2 S)

Compound Name

(1,3-benzothiazol-2-yl)methyl 4-fluorobenzoate

IUPAC name

(13-benzothiazol-2-yl)methyl 4-fluorobenzoate

SMILES

O=C(c(cc1)ccc1F)OCc1nc(cccc2)c2s1

InChI

InChI=1S/C15H10FNO2S/c16-11-7-5-10(6-8-11)15(18)19-9-14-17-12-3-1-2-4-13(12)20-14/h1-8H,9H2

InChI Key

NTIDMTFXCSMODC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.356

Distribution Coefficient, logD

4.356

Water Solubility, LogSw

-4.59

Polar Surface Area

31.312

Acid Dissociation Constant (pKa)

34.75

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

2291-3061 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 2291-3061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2291-3061?
Check Price and Availability of 2291-3061, 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 2291-3061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2291-3061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2291-3061
  • 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 2291-3061 available by request