3849-0590 Screening compound: ethyl 5-benzoyl-4-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate

3849-0590 Screening compound: ethyl 5-benzoyl-4-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
3849-0590 Screening compound: ethyl 5-benzoyl-4-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3849-0590
ethyl 5-benzoyl-4-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-3-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

3849-0590

Molecular Formula

C19H17BrN2O3 (C19 H17 BrN2 O3)

Compound Name

ethyl 5-benzoyl-4-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 5-benzoyl-4-(4-bromophenyl)-45-dihydro-1H-pyrazole-3-carboxylate

SMILES

CCOC(C(C1c(cc2)ccc2Br)=NNC1C(c1ccccc1)=O)=O

InChI

InChI=1S/C19H17BrN2O3/c1-2-25-19(24)17-15(12-8-10-14(20)11-9-12)16(21-22-17)18(23)13-6-4-3-5-7-13/h3-11,15-16,21H,2H2,1H3

InChI Key

QZJACAMUTFMHHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02197752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.454

Distribution Coefficient, logD

4.255

Water Solubility, LogSw

-4.16

Polar Surface Area

58.407

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.10

3849-0590 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3849-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3849-0590?
Check Price and Availability of 3849-0590, 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 3849-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3849-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3849-0590
  • 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 3849-0590 available by request