4052-4503 Screening compound: 2-(2-chlorobenzoyl)-5-(3,4-dimethoxyphenyl)-1',3'-diphenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazole

4052-4503 Screening compound: 2-(2-chlorobenzoyl)-5-(3,4-dimethoxyphenyl)-1',3'-diphenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazole
4052-4503 Screening compound: 2-(2-chlorobenzoyl)-5-(3,4-dimethoxyphenyl)-1',3'-diphenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-4503
2-(2-chlorobenzoyl)-5-(3,4-dimethoxyphenyl)-1',3'-diphenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazole

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

4052-4503

Molecular Formula

C33H27ClN4O3 (C33 H27 ClN4 O3)

Compound Name

2-(2-chlorobenzoyl)-5-(3,4-dimethoxyphenyl)-1',3'-diphenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazole

IUPAC name

2-(2-chlorobenzoyl)-5-(34-dimethoxyphenyl)-1'3'-diphenyl-34-dihydro-1'H2H-34'-bipyrazole

SMILES

COc(ccc(C(CC1c2cn(-c3ccccc3)nc2-c2ccccc2)=NN1C(c(cccc1)c1Cl)=O)c1)c1OC

InChI

InChI=1S/C33H27ClN4O3/c1-40-30-18-17-23(19-31(30)41-2)28-20-29(38(35-28)33(39)25-15-9-10-16-27(25)34)26-21-37(24-13-7-4-8-14-24)36-32(26)22-11-5-3-6-12-22/h3-19,21,29H,20H2,1-2H3/t29-/m0/s1

InChI Key

KQDVERKEEPJGSO-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD03131433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.443

Distribution Coefficient, logD

6.443

Water Solubility, LogSw

-6.00

Polar Surface Area

57.008

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.10

4052-4503 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 4052-4503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-4503?
Check Price and Availability of 4052-4503, 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 4052-4503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-4503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-4503
  • 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 4052-4503 available by request