3331-1201 Screening compound: 5-(4-ethylphenyl)-1',2-diphenyl-3'-(pyridin-3-yl)-3,4-dihydro-1'H,2H-3,4'-bipyrazole

3331-1201 Screening compound: 5-(4-ethylphenyl)-1',2-diphenyl-3'-(pyridin-3-yl)-3,4-dihydro-1'H,2H-3,4'-bipyrazole
3331-1201 Screening compound: 5-(4-ethylphenyl)-1',2-diphenyl-3'-(pyridin-3-yl)-3,4-dihydro-1'H,2H-3,4'-bipyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3331-1201
5-(4-ethylphenyl)-1',2-diphenyl-3'-(pyridin-3-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

3331-1201

Molecular Formula

C31H27N5 (C31 H27 N5)

Compound Name

5-(4-ethylphenyl)-1',2-diphenyl-3'-(pyridin-3-yl)-3,4-dihydro-1'H,2H-3,4'-bipyrazole

IUPAC name

5-(4-ethylphenyl)-1'2-diphenyl-3'-(pyridin-3-yl)-34-dihydro-1'H2H-34'-bipyrazole

SMILES

CCc(cc1)ccc1C(CC1c2cn(-c3ccccc3)nc2-c2cccnc2)=NN1c1ccccc1

InChI

InChI=1S/C31H27N5/c1-2-23-15-17-24(18-16-23)29-20-30(36(33-29)27-13-7-4-8-14-27)28-22-35(26-11-5-3-6-12-26)34-31(28)25-10-9-19-32-21-25/h3-19,21-22,30H,2,20H2,1H3/t30-/m0/s1

InChI Key

BUJHADWDXOAXKQ-PMERELPUSA-N

MDL Number (MFCD)

MFCD01909772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.838

Distribution Coefficient, logD

6.835

Water Solubility, LogSw

-5.84

Polar Surface Area

38.069

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.90

3331-1201 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 3331-1201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3331-1201?
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What is the minimum amount of 3331-1201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3331-1201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3331-1201
  • 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 3331-1201 available by request