P896-0173 Screening compound: 8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one

P896-0173 Screening compound: 8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one
P896-0173 Screening compound: 8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P896-0173
8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-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

P896-0173

Molecular Formula

C18H21FN4O3S (C18 H21 FN4 O3 S)

Compound Name

8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one

IUPAC name

8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-1H2H3H4H5H-pyrrolo[12-a][14]diazepin-1-one

SMILES

O=C1NCCCn2c1cc(S(N(CC1)CCN1c(cc1)ccc1F)(=O)=O)c2

InChI

InChI=1S/C18H21FN4O3S/c19-14-2-4-15(5-3-14)21-8-10-23(11-9-21)27(25,26)16-12-17-18(24)20-6-1-7-22(17)13-16/h2-5,12-13H,1,6-11H2,(H,20,24)

InChI Key

VMYYOFHUNRUDMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.325

Distribution Coefficient, logD

1.325

Water Solubility, LogSw

-2.44

Polar Surface Area

62.934

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

P896-0173 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P896-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P896-0173?
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What is the minimum amount of P896-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P896-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P896-0173
  • 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 P896-0173 available by request