P218-0498 Screening compound: 1-ethyl-3-[2-(3-methylphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyrazole

P218-0498 Screening compound: 1-ethyl-3-[2-(3-methylphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyrazole
P218-0498 Screening compound: 1-ethyl-3-[2-(3-methylphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P218-0498
1-ethyl-3-[2-(3-methylphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-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

P218-0498

Molecular Formula

C20H23N5O (C20 H23 N5 O)

Compound Name

1-ethyl-3-[2-(3-methylphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyrazole

IUPAC name

1-ethyl-3-[2-(3-methylphenyl)-4H5H6H7H8H-pyrazolo[15-a][14]diazepine-5-carbonyl]-1H-pyrazole

SMILES

CCn(cc1)nc1C(N1Cc2cc(-c3cc(C)ccc3)nn2CCC1)=O

InChI

InChI=1S/C20H23N5O/c1-3-24-11-8-18(21-24)20(26)23-9-5-10-25-17(14-23)13-19(22-25)16-7-4-6-15(2)12-16/h4,6-8,11-13H,3,5,9-10,14H2,1-2H3

InChI Key

UPUDNMBWVMQNKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.429

Distribution Coefficient, logD

2.429

Water Solubility, LogSw

-2.54

Polar Surface Area

44.802

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

P218-0498 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Hsp90-Targeted Library (11355 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with P218-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P218-0498?
Check Price and Availability of P218-0498, 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 P218-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P218-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P218-0498
  • 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 P218-0498 available by request