8004-5101 Screening compound: 2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-(4-bromophenyl)-1,3-thiazole

8004-5101 Screening compound: 2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-(4-bromophenyl)-1,3-thiazole
8004-5101 Screening compound: 2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-(4-bromophenyl)-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-5101
2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-(4-bromophenyl)-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

8004-5101

Molecular Formula

C26H22BrN3O2S (C26 H22 BrN3 O2 S)

Compound Name

2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-(4-bromophenyl)-1,3-thiazole

IUPAC name

2-[35-bis(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-4-(4-bromophenyl)-13-thiazole

SMILES

COc1ccc(C(C2)N(c3nc(-c(cc4)ccc4Br)cs3)N=C2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C26H22BrN3O2S/c1-31-21-11-5-17(6-12-21)23-15-25(19-7-13-22(32-2)14-8-19)30(29-23)26-28-24(16-33-26)18-3-9-20(27)10-4-18/h3-14,16,25H,15H2,1-2H3/t25-/m0/s1

InChI Key

LEOFRFLYGYAFOR-VWLOTQADSA-N

MDL Number (MFCD)

MFCD00745929

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

520.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.093

Distribution Coefficient, logD

8.093

Water Solubility, LogSw

-6.02

Polar Surface Area

38.555

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

8004-5101 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 8004-5101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-5101?
Check Price and Availability of 8004-5101, 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 8004-5101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-5101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-5101
  • 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 8004-5101 available by request