D458-0924 Screening compound: 2-{3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

D458-0924 Screening compound: 2-{3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
D458-0924 Screening compound: 2-{3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D458-0924
2-{3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-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

D458-0924

Molecular Formula

C26H26N4OS (C26 H26 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CC(N(CC2)Cc3c2cccc3)=O)c(C)nn1-c1nc(-c2ccc(C)cc2)cs1

InChI

InChI=1S/C26H26N4OS/c1-17-8-10-21(11-9-17)24-16-32-26(27-24)30-19(3)23(18(2)28-30)14-25(31)29-13-12-20-6-4-5-7-22(20)15-29/h4-11,16H,12-15H2,1-3H3

InChI Key

PEGYEVDCPJSXBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

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

5.702

Distribution Coefficient, logD

5.699

Water Solubility, LogSw

-5.50

Polar Surface Area

39.988

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

D458-0924 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D458-0924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D458-0924?
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What is the minimum amount of D458-0924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D458-0924
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D458-0924
  • 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 D458-0924 available by request