3933-0089 Screening compound: 3,5-bis(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole

3933-0089 Screening compound: 3,5-bis(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole
3933-0089 Screening compound: 3,5-bis(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3933-0089
3,5-bis(3,4-dimethoxyphenyl)-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

3933-0089

Molecular Formula

C29H32N2O8 (C29 H32 N2 O8)

Compound Name

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

IUPAC name

35-bis(34-dimethoxyphenyl)-1-(345-trimethoxybenzoyl)-45-dihydro-1H-pyrazole

SMILES

COc(ccc(C(C1)N(C(c(cc2OC)cc(OC)c2OC)=O)N=C1c(cc1)cc(OC)c1OC)c1)c1OC

InChI

InChI=1S/C29H32N2O8/c1-33-22-10-8-17(12-24(22)35-3)20-16-21(18-9-11-23(34-2)25(13-18)36-4)31(30-20)29(32)19-14-26(37-5)28(39-7)27(15-19)38-6/h8-15,21H,16H2,1-7H3/t21-/m0/s1

InChI Key

JDFWEDHYKORNAN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14709343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.050

Distribution Coefficient, logD

4.050

Water Solubility, LogSw

-4.29

Polar Surface Area

80.614

Acid Dissociation Constant (pKa)

18.12

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

3933-0089 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3933-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3933-0089?
Check Price and Availability of 3933-0089, 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 3933-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3933-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3933-0089
  • 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 3933-0089 available by request