2688-0086 Screening compound: 4-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-N-phenylbutanamide

2688-0086 Screening compound: 4-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-N-phenylbutanamide
2688-0086 Screening compound: 4-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-N-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2688-0086
4-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-N-phenylbutanamide

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

2688-0086

Molecular Formula

C25H21Br2N3O2 (C25 H21 Br2 N3 O2)

Compound Name

4-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-N-phenylbutanamide

IUPAC name

4-[35-bis(4-bromophenyl)-45-dihydro-1H-pyrazol-1-yl]-4-oxo-N-phenylbutanamide

SMILES

O=C(CCC(N(C(C1)c(cc2)ccc2Br)N=C1c(cc1)ccc1Br)=O)Nc1ccccc1

InChI

InChI=1S/C25H21Br2N3O2/c26-19-10-6-17(7-11-19)22-16-23(18-8-12-20(27)13-9-18)30(29-22)25(32)15-14-24(31)28-21-4-2-1-3-5-21/h1-13,23H,14-16H2,(H,28,31)/t23-/m1/s1

InChI Key

MCISBTWKXYQOHI-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD01932615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.986

Distribution Coefficient, logD

5.986

Water Solubility, LogSw

-6.08

Polar Surface Area

49.737

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 2688-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2688-0086?
Check Price and Availability of 2688-0086, 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 2688-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2688-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2688-0086
  • 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 2688-0086 available by request