3935-0102 Screening compound: 3'-(4-chlorophenyl)-1',2-diphenyl-5-(thiophen-2-yl)-3,4-dihydro-1'H,2H-3,4'-bipyrazole

3935-0102 Screening compound: 3'-(4-chlorophenyl)-1',2-diphenyl-5-(thiophen-2-yl)-3,4-dihydro-1'H,2H-3,4'-bipyrazole
3935-0102 Screening compound: 3'-(4-chlorophenyl)-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 3935-0102
3'-(4-chlorophenyl)-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

3935-0102

Molecular Formula

C28H21ClN4S (C28 H21 ClN4 S)

Compound Name

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

IUPAC name

3'-(4-chlorophenyl)-1'2-diphenyl-5-(thiophen-2-yl)-34-dihydro-1'H2H-34'-bipyrazole

SMILES

Clc(cc1)ccc1-c(c(C(C1)N(c2ccccc2)N=C1c1cccs1)c1)nn1-c1ccccc1

InChI

InChI=1S/C28H21ClN4S/c29-21-15-13-20(14-16-21)28-24(19-32(31-28)22-8-3-1-4-9-22)26-18-25(27-12-7-17-34-27)30-33(26)23-10-5-2-6-11-23/h1-17,19,26H,18H2/t26-/m0/s1

InChI Key

IOFGESHLKABGAP-SANMLTNESA-N

MDL Number (MFCD)

MFCD02724719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.02

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.557

Distribution Coefficient, logD

7.557

Water Solubility, LogSw

-6.88

Polar Surface Area

29.570

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.10

3935-0102 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3935-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3935-0102?
Check Price and Availability of 3935-0102, 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 3935-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3935-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3935-0102
  • 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 3935-0102 available by request