D458-0873 Screening compound: 2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

D458-0873 Screening compound: 2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
D458-0873 Screening compound: 2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D458-0873
2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

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

D458-0873

Molecular Formula

C25H23ClN4OS (C25 H23 ClN4 OS)

Compound Name

2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

IUPAC name

2-{1-[4-(4-chlorophenyl)-13-thiazol-2-yl]-35-dimethyl-1H-pyrazol-4-yl}-1-(1234-tetrahydroisoquinolin-2-yl)ethan-1-one

SMILES

Cc1c(CC(N(CC2)Cc3c2cccc3)=O)c(C)nn1-c1nc(-c(cc2)ccc2Cl)cs1

InChI

InChI=1S/C25H23ClN4OS/c1-16-22(13-24(31)29-12-11-18-5-3-4-6-20(18)14-29)17(2)30(28-16)25-27-23(15-32-25)19-7-9-21(26)10-8-19/h3-10,15H,11-14H2,1-2H3

InChI Key

YFVLCGRTJSWXQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.874

Distribution Coefficient, logD

5.873

Water Solubility, LogSw

-6.06

Polar Surface Area

39.988

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

D458-0873 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D458-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D458-0873?
Check Price and Availability of D458-0873, 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 D458-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D458-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D458-0873
  • 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 D458-0873 available by request