4349-0059 Screening compound: ethyl 1-(1,3-benzothiazol-2-yl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate

4349-0059 Screening compound: ethyl 1-(1,3-benzothiazol-2-yl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate
4349-0059 Screening compound: ethyl 1-(1,3-benzothiazol-2-yl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4349-0059
ethyl 1-(1,3-benzothiazol-2-yl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-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

4349-0059

Molecular Formula

C19H11F4N3O2S (C19 H11 F4 N3 O2 S)

Compound Name

ethyl 1-(1,3-benzothiazol-2-yl)-5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazole-4-carboxylate

IUPAC name

ethyl 1-(13-benzothiazol-2-yl)-5-(2345-tetrafluorophenyl)-1H-pyrazole-4-carboxylate

SMILES

CCOC(c1c(-c(cc(c(F)c2F)F)c2F)n(-c2nc(cccc3)c3s2)nc1)=O

InChI

InChI=1S/C19H11F4N3O2S/c1-2-28-18(27)10-8-24-26(19-25-12-5-3-4-6-13(12)29-19)17(10)9-7-11(20)15(22)16(23)14(9)21/h3-8H,2H2,1H3

InChI Key

AURZJNQRUJGDER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00781867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.998

Distribution Coefficient, logD

5.998

Water Solubility, LogSw

-5.41

Polar Surface Area

43.350

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

4349-0059 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4349-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4349-0059?
Check Price and Availability of 4349-0059, 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 4349-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4349-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4349-0059
  • 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 4349-0059 available by request