J035-0444 Screening compound: N-[2-(4-benzylpiperidin-1-yl)ethyl]-8,8-dimethyl-6-oxo-6H,7H,8H,9H-pyrazolo[1,5-a]quinazoline-3-carboxamide

J035-0444 Screening compound: N-[2-(4-benzylpiperidin-1-yl)ethyl]-8,8-dimethyl-6-oxo-6H,7H,8H,9H-pyrazolo[1,5-a]quinazoline-3-carboxamide
J035-0444 Screening compound: N-[2-(4-benzylpiperidin-1-yl)ethyl]-8,8-dimethyl-6-oxo-6H,7H,8H,9H-pyrazolo[1,5-a]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J035-0444
N-[2-(4-benzylpiperidin-1-yl)ethyl]-8,8-dimethyl-6-oxo-6H,7H,8H,9H-pyrazolo[1,5-a]quinazoline-3-carboxamide

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

J035-0444

Molecular Formula

C27H33N5O2 (C27 H33 N5 O2)

Compound Name

N-[2-(4-benzylpiperidin-1-yl)ethyl]-8,8-dimethyl-6-oxo-6H,7H,8H,9H-pyrazolo[1,5-a]quinazoline-3-carboxamide

IUPAC name

N-[2-(4-benzylpiperidin-1-yl)ethyl]-88-dimethyl-6-oxo-6H7H8H9H-pyrazolo[15-a]quinazoline-3-carboxamide

SMILES

CC(C)(Cc(n1nc2)c3cnc1c2C(NCCN1CCC(Cc2ccccc2)CC1)=O)CC3=O

InChI

InChI=1S/C27H33N5O2/c1-27(2)15-23-21(24(33)16-27)17-29-25-22(18-30-32(23)25)26(34)28-10-13-31-11-8-20(9-12-31)14-19-6-4-3-5-7-19/h3-7,17-18,20H,8-16H2,1-2H3,(H,28,34)

InChI Key

YEUVJHPRPYUPCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.038

Distribution Coefficient, logD

3.500

Water Solubility, LogSw

-4.22

Polar Surface Area

63.615

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

J035-0444 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

MCL1 Targeted Library (12200 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with J035-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J035-0444?
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What is the minimum amount of J035-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J035-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J035-0444
  • 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 J035-0444 available by request