3355-0113 Screening compound: 5-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid

3355-0113 Screening compound: 5-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid
3355-0113 Screening compound: 5-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3355-0113
5-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic 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

3355-0113

Molecular Formula

C21H21BrN2O4 (C21 H21 BrN2 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(CC1c(cc2)ccc2Br)=NN1C(CCCC(O)=O)=O

InChI

InChI=1S/C21H21BrN2O4/c1-28-17-11-7-14(8-12-17)18-13-19(15-5-9-16(22)10-6-15)24(23-18)20(25)3-2-4-21(26)27/h5-12,19H,2-4,13H2,1H3,(H,26,27)/t19-/m0/s1

InChI Key

DHSCNEJGIWITGY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02642295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.950

Distribution Coefficient, logD

1.353

Water Solubility, LogSw

-4.06

Polar Surface Area

62.786

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

3355-0113 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antimitotic Tubulin Library (17355 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 3355-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3355-0113?
Check Price and Availability of 3355-0113, 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 3355-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3355-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3355-0113
  • 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 3355-0113 available by request