2291-3089 Screening compound: (1,3-benzothiazol-2-yl)methyl 5-chlorothiophene-2-carboxylate

2291-3089 Screening compound: (1,3-benzothiazol-2-yl)methyl 5-chlorothiophene-2-carboxylate
2291-3089 Screening compound: (1,3-benzothiazol-2-yl)methyl 5-chlorothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2291-3089
(1,3-benzothiazol-2-yl)methyl 5-chlorothiophene-2-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

2291-3089

Molecular Formula

C13H8ClNO2S2 (C13 H8 ClNO2 S2)

Compound Name

(1,3-benzothiazol-2-yl)methyl 5-chlorothiophene-2-carboxylate

IUPAC name

(13-benzothiazol-2-yl)methyl 5-chlorothiophene-2-carboxylate

SMILES

O=C(c(s1)ccc1Cl)OCc1nc(cccc2)c2s1

InChI

InChI=1S/C13H8ClNO2S2/c14-11-6-5-10(18-11)13(16)17-7-12-15-8-3-1-2-4-9(8)19-12/h1-6H,7H2

InChI Key

ACGYPAZYPLSKMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.8

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

4.567

Distribution Coefficient, logD

4.567

Water Solubility, LogSw

-4.67

Polar Surface Area

32.330

Acid Dissociation Constant (pKa)

35.19

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

2291-3089 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 2291-3089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2291-3089?
Check Price and Availability of 2291-3089, 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 2291-3089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2291-3089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2291-3089
  • 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 2291-3089 available by request