3935-0597 Screening compound: 3'-(3,4-dimethoxyphenyl)-1',2-diphenyl-5-(thiophen-2-yl)-3,4-dihydro-1'H,2H-3,4'-bipyrazole

3935-0597 Screening compound: 3'-(3,4-dimethoxyphenyl)-1',2-diphenyl-5-(thiophen-2-yl)-3,4-dihydro-1'H,2H-3,4'-bipyrazole
3935-0597 Screening compound: 3'-(3,4-dimethoxyphenyl)-1',2-diphenyl-5-(thiophen-2-yl)-3,4-dihydro-1'H,2H-3,4'-bipyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3935-0597
3'-(3,4-dimethoxyphenyl)-1',2-diphenyl-5-(thiophen-2-yl)-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

3935-0597

Molecular Formula

C30H26N4O2S (C30 H26 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(-c(c(C(C1)N(c2ccccc2)N=C1c1cccs1)c1)nn1-c1ccccc1)c1)c1OC

InChI

InChI=1S/C30H26N4O2S/c1-35-27-16-15-21(18-28(27)36-2)30-24(20-33(32-30)22-10-5-3-6-11-22)26-19-25(29-14-9-17-37-29)31-34(26)23-12-7-4-8-13-23/h3-18,20,26H,19H2,1-2H3/t26-/m1/s1

InChI Key

OQTWUUQKUDIQCQ-AREMUKBSSA-N

MDL Number (MFCD)

MFCD02724715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.673

Distribution Coefficient, logD

6.673

Water Solubility, LogSw

-5.81

Polar Surface Area

44.831

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

3935-0597 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3935-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3935-0597?
Check Price and Availability of 3935-0597, 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 3935-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3935-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3935-0597
  • 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 3935-0597 available by request