P223-0618 Screening compound: N-isopentyl-3-(4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)tetrahydro-1(2H)-pyridinecarboxamide

P223-0618 Screening compound: N-isopentyl-3-(4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)tetrahydro-1(2H)-pyridinecarboxamide
P223-0618 Screening compound: N-isopentyl-3-(4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P223-0618
N-isopentyl-3-(4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)tetrahydro-1(2H)-pyridinecarboxamide

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

P223-0618

Molecular Formula

C18H29N5O2 (C18 H29 N5 O2)

Compound Name

N-isopentyl-3-(4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

N-(3-methylbutyl)-3-{4-oxo-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-2-yl}piperidine-1-carboxamide

SMILES

CC(C)CCNC(N(CCC1)CC1c1nn(CCCNC2=O)c2c1)=O

InChI

InChI=1S/C18H29N5O2/c1-13(2)6-8-20-18(25)22-9-3-5-14(12-22)15-11-16-17(24)19-7-4-10-23(16)21-15/h11,13-14H,3-10,12H2,1-2H3,(H,19,24)(H,20,25)/t14-/m0/s1

InChI Key

OXXNYTXNMKTHJN-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32224061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.790

Distribution Coefficient, logD

1.790

Water Solubility, LogSw

-2.27

Polar Surface Area

65.602

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.22

P223-0618 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 P223-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P223-0618?
Check Price and Availability of P223-0618, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P223-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P223-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P223-0618
  • 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 P223-0618 available by request