2799-0095 Screening compound: 4-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

2799-0095 Screening compound: 4-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
2799-0095 Screening compound: 4-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2799-0095
4-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

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

2799-0095

Molecular Formula

C20H19BrN2O4 (C20 H19 BrN2 O4)

Compound Name

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

IUPAC name

4-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

SMILES

COc1c(C(C2)N(C(CCC(O)=O)=O)N=C2c(cc2)ccc2Br)cccc1

InChI

InChI=1S/C20H19BrN2O4/c1-27-18-5-3-2-4-15(18)17-12-16(13-6-8-14(21)9-7-13)22-23(17)19(24)10-11-20(25)26/h2-9,17H,10-12H2,1H3,(H,25,26)/t17-/m1/s1

InChI Key

WJPLXRUTKRWWBO-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD02046144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.969

Distribution Coefficient, logD

1.020

Water Solubility, LogSw

-4.15

Polar Surface Area

62.873

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

2799-0095 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2799-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2799-0095?
Check Price and Availability of 2799-0095, 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 2799-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2799-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2799-0095
  • 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 2799-0095 available by request