P221-1015 Screening compound: methyl 4-chloro-2-{[2-(thiophen-2-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino}benzoate

P221-1015 Screening compound: methyl 4-chloro-2-{[2-(thiophen-2-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino}benzoate
P221-1015 Screening compound: methyl 4-chloro-2-{[2-(thiophen-2-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P221-1015
methyl 4-chloro-2-{[2-(thiophen-2-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino}benzoate

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

P221-1015

Molecular Formula

C20H19ClN4O3S (C20 H19 ClN4 O3 S)

Compound Name

methyl 4-chloro-2-{[2-(thiophen-2-yl)-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino}benzoate

IUPAC name

methyl 4-chloro-2-{[2-(thiophen-2-yl)-4H5H6H7H8H-pyrazolo[15-a][14]diazepine-5-carbonyl]amino}benzoate

SMILES

COC(c(ccc(Cl)c1)c1NC(N1Cc2cc(-c3cccs3)nn2CCC1)=O)=O

InChI

InChI=1S/C20H19ClN4O3S/c1-28-19(26)15-6-5-13(21)10-16(15)22-20(27)24-7-3-8-25-14(12-24)11-17(23-25)18-4-2-9-29-18/h2,4-6,9-11H,3,7-8,12H2,1H3,(H,22,27)

InChI Key

QPQGFXCYNSJJRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.908

Distribution Coefficient, logD

3.871

Water Solubility, LogSw

-4.29

Polar Surface Area

60.732

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P221-1015 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P221-1015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P221-1015?
Check Price and Availability of P221-1015, 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 P221-1015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P221-1015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P221-1015
  • 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 P221-1015 available by request