3935-1299 Screening compound: ethyl 3-(4-bromophenyl)-1-phenyl-1H-pyrazole-4-carboxylate

3935-1299 Screening compound: ethyl 3-(4-bromophenyl)-1-phenyl-1H-pyrazole-4-carboxylate
3935-1299 Screening compound: ethyl 3-(4-bromophenyl)-1-phenyl-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3935-1299
ethyl 3-(4-bromophenyl)-1-phenyl-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

3935-1299

Molecular Formula

C18H15BrN2O2 (C18 H15 BrN2 O2)

Compound Name

ethyl 3-(4-bromophenyl)-1-phenyl-1H-pyrazole-4-carboxylate

IUPAC name

ethyl 3-(4-bromophenyl)-1-phenyl-1H-pyrazole-4-carboxylate

SMILES

CCOC(c1cn(-c2ccccc2)nc1-c(cc1)ccc1Br)=O

InChI

InChI=1S/C18H15BrN2O2/c1-2-23-18(22)16-12-21(15-6-4-3-5-7-15)20-17(16)13-8-10-14(19)11-9-13/h3-12H,2H2,1H3

InChI Key

IATSMTRKOKQKTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02720407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.971

Distribution Coefficient, logD

4.971

Water Solubility, LogSw

-4.52

Polar Surface Area

35.625

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3935-1299 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3935-1299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3935-1299?
Check Price and Availability of 3935-1299, 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 3935-1299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3935-1299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3935-1299
  • 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 3935-1299 available by request