1890-0842 Screening compound: N2-(4-FLUOROBENZYL)-5-(2-THIENYL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1

1890-0842 Screening compound: N2-(4-FLUOROBENZYL)-5-(2-THIENYL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1
1890-0842 Screening compound: N2-(4-FLUOROBENZYL)-5-(2-THIENYL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1 alternative view

Chemical Structure Depiction of ChemDiv screening compound 1890-0842
N2-(4-FLUOROBENZYL)-5-(2-THIENYL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1

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

1890-0842

Molecular Formula

C19H12F4N4OS (C19 H12 F4 N4 OS)

Compound Name

N2-(4-FLUOROBENZYL)-5-(2-THIENYL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1

IUPAC name

n/a

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1)NCc(cc1)ccc1F

InChI

InChI=1S/C19H12F4N4OS/c20-12-5-3-11(4-6-12)10-24-18(28)14-9-17-25-13(15-2-1-7-29-15)8-16(19(21,22)23)27(17)26-14/h1-9H,10H2,(H,24,28)

InChI Key

XNHKHBYBSAFWKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01000155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.426

Distribution Coefficient, logD

4.426

Water Solubility, LogSw

-4.39

Polar Surface Area

43.829

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

1890-0842 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 1890-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1890-0842?
Check Price and Availability of 1890-0842, 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 1890-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1890-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1890-0842
  • 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 1890-0842 available by request