P218-3195 Screening compound: 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-{2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl}propan-1-one

P218-3195 Screening compound: 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-{2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl}propan-1-one
P218-3195 Screening compound: 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-{2-[4-(trifluoromethyl)phenyl]-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 P218-3195
3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-{2-[4-(trifluoromethyl)phenyl]-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

P218-3195

Molecular Formula

C27H27F3N4O4S (C27 H27 F3 N4 O4 S)

Compound Name

3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-{2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-5-yl}propan-1-one

IUPAC name

3-[(1-acetyl-23-dihydro-1H-indol-5-yl)sulfonyl]-1-{2-[4-(trifluoromethyl)phenyl]-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-5-yl}propan-1-one

SMILES

CC(N(CC1)c(cc2)c1cc2S(CCC(N1Cc2cc(-c3ccc(C(F)(F)F)cc3)nn2CCC1)=O)(=O)=O)=O

InChI

InChI=1S/C27H27F3N4O4S/c1-18(35)33-13-9-20-15-23(7-8-25(20)33)39(37,38)14-10-26(36)32-11-2-12-34-22(17-32)16-24(31-34)19-3-5-21(6-4-19)27(28,29)30/h3-8,15-16H,2,9-14,17H2,1H3

InChI Key

KIICQMAFFQIYPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31958258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.938

Distribution Coefficient, logD

2.938

Water Solubility, LogSw

-3.58

Polar Surface Area

75.344

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.04

P218-3195 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with P218-3195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P218-3195?
Check Price and Availability of P218-3195, 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 P218-3195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P218-3195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P218-3195
  • 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 P218-3195 available by request