8006-2609 Screening compound: 2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-(4-iodophenyl)-1,3-thiazole

8006-2609 Screening compound: 2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-(4-iodophenyl)-1,3-thiazole
8006-2609 Screening compound: 2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-(4-iodophenyl)-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2609
2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-(4-iodophenyl)-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

8006-2609

Molecular Formula

C26H21IN4O2S (C26 H21 IN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C(CC2c3cc([N+]([O-])=O)ccc3)=NN2c2nc(-c(cc3)ccc3I)cs2)c(C)cc1

InChI

InChI=1S/C26H21IN4O2S/c1-16-6-7-17(2)22(12-16)23-14-25(19-4-3-5-21(13-19)31(32)33)30(29-23)26-28-24(15-34-26)18-8-10-20(27)11-9-18/h3-13,15,25H,14H2,1-2H3/t25-/m0/s1

InChI Key

SJGJDRACJMBORH-VWLOTQADSA-N

MDL Number (MFCD)

MFCD00785037

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

580.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

9.153

Distribution Coefficient, logD

9.153

Water Solubility, LogSw

-5.86

Polar Surface Area

56.849

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 8006-2609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2609?
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What is the minimum amount of 8006-2609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2609
  • 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 8006-2609 available by request