P221-0028 Screening compound: 3-methoxy-1-[2-(pyridin-4-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]propan-1-one

P221-0028 Screening compound: 3-methoxy-1-[2-(pyridin-4-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]propan-1-one
P221-0028 Screening compound: 3-methoxy-1-[2-(pyridin-4-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P221-0028
3-methoxy-1-[2-(pyridin-4-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]propan-1-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

P221-0028

Molecular Formula

C16H20N4O2 (C16 H20 N4 O2)

Compound Name

3-methoxy-1-[2-(pyridin-4-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl]propan-1-one

IUPAC name

3-methoxy-1-[2-(pyridin-4-yl)-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-5-yl]propan-1-one

SMILES

COCCC(N1Cc2cc(-c3ccncc3)nn2CCC1)=O

InChI

InChI=1S/C16H20N4O2/c1-22-10-5-16(21)19-8-2-9-20-14(12-19)11-15(18-20)13-3-6-17-7-4-13/h3-4,6-7,11H,2,5,8-10,12H2,1H3

InChI Key

KZRMQOAWDREKAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.559

Distribution Coefficient, logD

0.559

Water Solubility, LogSw

-1.06

Polar Surface Area

47.932

Acid Dissociation Constant (pKa)

23.23

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

P221-0028 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

CNS BBB Library (22607 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with P221-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P221-0028?
Check Price and Availability of P221-0028, 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 P221-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P221-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P221-0028
  • 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 P221-0028 available by request