8008-1896 Screening compound: 4-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole

8008-1896 Screening compound: 4-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole
8008-1896 Screening compound: 4-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1896
4-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole

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

8008-1896

Molecular Formula

C24H20FN3S2 (C24 H20 FN3 S2)

Compound Name

4-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole

IUPAC name

4-(25-dimethylphenyl)-2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-13-thiazole

SMILES

Cc1cc(-c2csc(N(C(C3)c(cc4)ccc4F)N=C3c3cccs3)n2)c(C)cc1

InChI

InChI=1S/C24H20FN3S2/c1-15-5-6-16(2)19(12-15)21-14-30-24(26-21)28-22(17-7-9-18(25)10-8-17)13-20(27-28)23-4-3-11-29-23/h3-12,14,22H,13H2,1-2H3/t22-/m0/s1

InChI Key

SMSLOIUGSBNHEV-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01239877

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

433.57

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.705

Distribution Coefficient, logD

7.705

Water Solubility, LogSw

-6.03

Polar Surface Area

24.486

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8008-1896 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8008-1896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1896?
Check Price and Availability of 8008-1896, 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 8008-1896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1896
  • 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 8008-1896 available by request