P223-1697 Screening compound: 5-ethyl-2-{1'-ethyl-[1,4'-bipiperidin]-3-yl}-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-4-one

P223-1697 Screening compound: 5-ethyl-2-{1'-ethyl-[1,4'-bipiperidin]-3-yl}-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-4-one
P223-1697 Screening compound: 5-ethyl-2-{1'-ethyl-[1,4'-bipiperidin]-3-yl}-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P223-1697
5-ethyl-2-{1'-ethyl-[1,4'-bipiperidin]-3-yl}-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-4-one

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

P223-1697

Molecular Formula

C21H35N5O (C21 H35 N5 O)

Compound Name

5-ethyl-2-{1'-ethyl-[1,4'-bipiperidin]-3-yl}-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-4-one

IUPAC name

5-ethyl-2-{1'-ethyl-[14'-bipiperidin]-3-yl}-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-4-one

SMILES

CCN(CC1)CCC1N(CCC1)CC1c1nn(CCCN(CC)C2=O)c2c1

InChI

InChI=1S/C21H35N5O/c1-3-23-13-8-18(9-14-23)25-10-5-7-17(16-25)19-15-20-21(27)24(4-2)11-6-12-26(20)22-19/h15,17-18H,3-14,16H2,1-2H3/t17-/m0/s1

InChI Key

LIEBWUBMVZKSFL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31953063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.816

Distribution Coefficient, logD

-0.642

Water Solubility, LogSw

-1.79

Polar Surface Area

36.862

Acid Dissociation Constant (pKa)

27.16

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.00

P223-1697 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P223-1697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P223-1697?
Check Price and Availability of P223-1697, 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 P223-1697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P223-1697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P223-1697
  • 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 P223-1697 available by request