2189-1271 Screening compound: 3,5-bis(4-bromophenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole

2189-1271 Screening compound: 3,5-bis(4-bromophenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole
2189-1271 Screening compound: 3,5-bis(4-bromophenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2189-1271
3,5-bis(4-bromophenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole

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

2189-1271

Molecular Formula

C25H22Br2N2O4 (C25 H22 Br2 N2 O4)

Compound Name

3,5-bis(4-bromophenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole

IUPAC name

35-bis(4-bromophenyl)-1-(345-trimethoxybenzoyl)-45-dihydro-1H-pyrazole

SMILES

COc1cc(C(N(C(C2)c(cc3)ccc3Br)N=C2c(cc2)ccc2Br)=O)cc(OC)c1OC

InChI

InChI=1S/C25H22Br2N2O4/c1-31-22-12-17(13-23(32-2)24(22)33-3)25(30)29-21(16-6-10-19(27)11-7-16)14-20(28-29)15-4-8-18(26)9-5-15/h4-13,21H,14H2,1-3H3/t21-/m1/s1

InChI Key

LBVVHUPWMSHOCK-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01068280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.455

Distribution Coefficient, logD

6.455

Water Solubility, LogSw

-5.72

Polar Surface Area

50.092

Acid Dissociation Constant (pKa)

17.66

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 2189-1271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2189-1271?
Check Price and Availability of 2189-1271, 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 2189-1271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2189-1271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2189-1271
  • 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 2189-1271 available by request