P223-1686 Screening compound: 5-ethyl-2-{1-[(1-methyl-1H-imidazol-5-yl)carbonyl]-3-piperidyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one

P223-1686 Screening compound: 5-ethyl-2-{1-[(1-methyl-1H-imidazol-5-yl)carbonyl]-3-piperidyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
P223-1686 Screening compound: 5-ethyl-2-{1-[(1-methyl-1H-imidazol-5-yl)carbonyl]-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 P223-1686
5-ethyl-2-{1-[(1-methyl-1H-imidazol-5-yl)carbonyl]-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

P223-1686

Molecular Formula

C19H26N6O2 (C19 H26 N6 O2)

Compound Name

5-ethyl-2-{1-[(1-methyl-1H-imidazol-5-yl)carbonyl]-3-piperidyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one

IUPAC name

5-ethyl-2-[1-(1-methyl-1H-imidazole-5-carbonyl)piperidin-3-yl]-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-4-one

SMILES

CCN(CCCn1nc(C(CCC2)CN2C(c2cncn2C)=O)cc11)C1=O

InChI

InChI=1S/C19H26N6O2/c1-3-23-8-5-9-25-16(18(23)26)10-15(21-25)14-6-4-7-24(12-14)19(27)17-11-20-13-22(17)2/h10-11,13-14H,3-9,12H2,1-2H3/t14-/m0/s1

InChI Key

JYCBSBYGPWWKHW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32224152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.453

Distribution Coefficient, logD

0.417

Water Solubility, LogSw

-0.80

Polar Surface Area

57.934

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

P223-1686 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 P223-1686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P223-1686?
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What is the minimum amount of P223-1686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P223-1686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P223-1686
  • 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 P223-1686 available by request