8006-8421 Screening compound: 4-(3-bromo-4-methoxyphenyl)-2-[5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole

8006-8421 Screening compound: 4-(3-bromo-4-methoxyphenyl)-2-[5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole
8006-8421 Screening compound: 4-(3-bromo-4-methoxyphenyl)-2-[5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8421
4-(3-bromo-4-methoxyphenyl)-2-[5-(4-chlorophenyl)-3-(4-methylphenyl)-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

8006-8421

Molecular Formula

C26H21BrClN3OS (C26 H21 BrClN3 OS)

Compound Name

4-(3-bromo-4-methoxyphenyl)-2-[5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole

IUPAC name

4-(3-bromo-4-methoxyphenyl)-2-[5-(4-chlorophenyl)-3-(4-methylphenyl)-45-dihydro-1H-pyrazol-1-yl]-13-thiazole

SMILES

Cc(cc1)ccc1C(CC1c(cc2)ccc2Cl)=NN1c1nc(-c(cc2)cc(Br)c2OC)cs1

InChI

InChI=1S/C26H21BrClN3OS/c1-16-3-5-17(6-4-16)22-14-24(18-7-10-20(28)11-8-18)31(30-22)26-29-23(15-33-26)19-9-12-25(32-2)21(27)13-19/h3-13,15,24H,14H2,1-2H3/t24-/m0/s1

InChI Key

BXPIQDVGEGSBTR-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD00826928

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

538.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.826

Distribution Coefficient, logD

8.826

Water Solubility, LogSw

-6.78

Polar Surface Area

31.098

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

8006-8421 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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 8006-8421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8421?
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What is the minimum amount of 8006-8421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8421
  • 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 8006-8421 available by request