P223-0493 Screening compound: 5-ethyl-2-{1-[3-(4-methoxyphenyl)propanoyl]-3-piperidyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one

P223-0493 Screening compound: 5-ethyl-2-{1-[3-(4-methoxyphenyl)propanoyl]-3-piperidyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
P223-0493 Screening compound: 5-ethyl-2-{1-[3-(4-methoxyphenyl)propanoyl]-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 P223-0493
5-ethyl-2-{1-[3-(4-methoxyphenyl)propanoyl]-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

P223-0493

Molecular Formula

C24H32N4O3 (C24 H32 N4 O3)

Compound Name

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

IUPAC name

5-ethyl-2-{1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl}-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-4-one

SMILES

CCN(CCCn1nc(C(CCC2)CN2C(CCc(cc2)ccc2OC)=O)cc11)C1=O

InChI

InChI=1S/C24H32N4O3/c1-3-26-14-5-15-28-22(24(26)30)16-21(25-28)19-6-4-13-27(17-19)23(29)12-9-18-7-10-20(31-2)11-8-18/h7-8,10-11,16,19H,3-6,9,12-15,17H2,1-2H3/t19-/m0/s1

InChI Key

VAWPBMUPMCSROV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32224053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.632

Distribution Coefficient, logD

2.632

Water Solubility, LogSw

-2.73

Polar Surface Area

53.704

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.17

P223-0493 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 P223-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P223-0493?
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What is the minimum amount of P223-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P223-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P223-0493
  • 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 P223-0493 available by request