8008-6414 Screening compound: methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate

8008-6414 Screening compound: methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate
8008-6414 Screening compound: methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6414
methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate

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

8008-6414

Molecular Formula

C13H13BrN2O3 (C13 H13 BrN2 O3)

Compound Name

methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate

IUPAC name

methyl 3-acetyl-1-(4-bromophenyl)-45-dihydro-1H-pyrazole-4-carboxylate

SMILES

CC(C(C(C1)C(OC)=O)=NN1c(cc1)ccc1Br)=O

InChI

InChI=1S/C13H13BrN2O3/c1-8(17)12-11(13(18)19-2)7-16(15-12)10-5-3-9(14)4-6-10/h3-6,11H,7H2,1-2H3/t11-/m0/s1

InChI Key

UWRSOAYRDNKIMN-NSHDSACASA-N

MDL Number (MFCD)

MFCD00762121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.558

Distribution Coefficient, logD

2.558

Water Solubility, LogSw

-2.54

Polar Surface Area

49.605

Acid Dissociation Constant (pKa)

16.41

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

8008-6414 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8008-6414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6414?
Check Price and Availability of 8008-6414, 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 8008-6414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6414
  • 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 8008-6414 available by request