P223-0864 Screening compound: 2-{1-[(4-fluorophenyl)sulfonyl]-3-piperidyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one

P223-0864 Screening compound: 2-{1-[(4-fluorophenyl)sulfonyl]-3-piperidyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
P223-0864 Screening compound: 2-{1-[(4-fluorophenyl)sulfonyl]-3-piperidyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P223-0864
2-{1-[(4-fluorophenyl)sulfonyl]-3-piperidyl}-5,6,7,8-tetrahydro-4H-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

P223-0864

Molecular Formula

C18H21FN4O3S (C18 H21 FN4 O3 S)

Compound Name

2-{1-[(4-fluorophenyl)sulfonyl]-3-piperidyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one

IUPAC name

2-[1-(4-fluorobenzenesulfonyl)piperidin-3-yl]-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-4-one

SMILES

O=C1NCCCn2nc(C(CCC3)CN3S(c(cc3)ccc3F)(=O)=O)cc12

InChI

InChI=1S/C18H21FN4O3S/c19-14-4-6-15(7-5-14)27(25,26)22-9-1-3-13(12-22)16-11-17-18(24)20-8-2-10-23(17)21-16/h4-7,11,13H,1-3,8-10,12H2,(H,20,24)/t13-/m0/s1

InChI Key

XATVGYCSJVCJIL-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD32224073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.440

Distribution Coefficient, logD

1.440

Water Solubility, LogSw

-2.55

Polar Surface Area

70.408

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

P223-0864 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P223-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P223-0864?
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What is the minimum amount of P223-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P223-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P223-0864
  • 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 P223-0864 available by request