P223-1239 Screening compound: 5-(2-methoxyethyl)-2-[1-(1-pyrrolidinylcarbonyl)-3-piperidyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one

P223-1239 Screening compound: 5-(2-methoxyethyl)-2-[1-(1-pyrrolidinylcarbonyl)-3-piperidyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
P223-1239 Screening compound: 5-(2-methoxyethyl)-2-[1-(1-pyrrolidinylcarbonyl)-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 P223-1239
5-(2-methoxyethyl)-2-[1-(1-pyrrolidinylcarbonyl)-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

P223-1239

Molecular Formula

C20H31N5O3 (C20 H31 N5 O3)

Compound Name

5-(2-methoxyethyl)-2-[1-(1-pyrrolidinylcarbonyl)-3-piperidyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one

IUPAC name

5-(2-methoxyethyl)-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-4-one

SMILES

COCCN(CCCn1nc(C(CCC2)CN2C(N2CCCC2)=O)cc11)C1=O

InChI

InChI=1S/C20H31N5O3/c1-28-13-12-22-10-5-11-25-18(19(22)26)14-17(21-25)16-6-4-9-24(15-16)20(27)23-7-2-3-8-23/h14,16H,2-13,15H2,1H3/t16-/m0/s1

InChI Key

BHDXBZXUXXXXMY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32224130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.272

Distribution Coefficient, logD

1.272

Water Solubility, LogSw

-1.49

Polar Surface Area

57.456

Acid Dissociation Constant (pKa)

26.84

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

P223-1239 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 P223-1239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P223-1239?
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What is the minimum amount of P223-1239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P223-1239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P223-1239
  • 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 P223-1239 available by request