2688-0115 Screening compound: 4-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-N-(2-methoxyphenyl)-4-oxobutanamide

2688-0115 Screening compound: 4-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-N-(2-methoxyphenyl)-4-oxobutanamide
2688-0115 Screening compound: 4-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-N-(2-methoxyphenyl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2688-0115
4-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-N-(2-methoxyphenyl)-4-oxobutanamide

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

2688-0115

Molecular Formula

C26H24BrN3O3 (C26 H24 BrN3 O3)

Compound Name

4-[3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-N-(2-methoxyphenyl)-4-oxobutanamide

IUPAC name

4-[3-(4-bromophenyl)-5-phenyl-45-dihydro-1H-pyrazol-1-yl]-N-(2-methoxyphenyl)-4-oxobutanamide

SMILES

COc(cccc1)c1NC(CCC(N(C(C1)c2ccccc2)N=C1c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C26H24BrN3O3/c1-33-24-10-6-5-9-21(24)28-25(31)15-16-26(32)30-23(19-7-3-2-4-8-19)17-22(29-30)18-11-13-20(27)14-12-18/h2-14,23H,15-17H2,1H3,(H,28,31)/t23-/m1/s1

InChI Key

RFMYMAKFTIRPAS-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD01932618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.101

Distribution Coefficient, logD

5.101

Water Solubility, LogSw

-4.95

Polar Surface Area

56.669

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

2688-0115 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2688-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2688-0115?
Check Price and Availability of 2688-0115, 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 2688-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2688-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2688-0115
  • 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 2688-0115 available by request