J035-0458 Screening compound: 8,8-dimethyl-N~3~-[3-(methylanilino)propyl]-6-oxo-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

J035-0458 Screening compound: 8,8-dimethyl-N~3~-[3-(methylanilino)propyl]-6-oxo-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
J035-0458 Screening compound: 8,8-dimethyl-N~3~-[3-(methylanilino)propyl]-6-oxo-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J035-0458
8,8-dimethyl-N~3~-[3-(methylanilino)propyl]-6-oxo-6,7,8,9-tetrahydropyrazolo[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

J035-0458

Molecular Formula

C23H27N5O2 (C23 H27 N5 O2)

Compound Name

8,8-dimethyl-N~3~-[3-(methylanilino)propyl]-6-oxo-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

IUPAC name

n/a

SMILES

CC(C)(Cc(n1nc2)c3cnc1c2C(NCCCN(C)c1ccccc1)=O)CC3=O

InChI

InChI=1S/C23H27N5O2/c1-23(2)12-19-17(20(29)13-23)14-25-21-18(15-26-28(19)21)22(30)24-10-7-11-27(3)16-8-5-4-6-9-16/h4-6,8-9,14-15H,7,10-13H2,1-3H3,(H,24,30)

InChI Key

YWVGNPSUJBCPLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.676

Distribution Coefficient, logD

2.671

Water Solubility, LogSw

-3.08

Polar Surface Area

63.109

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with J035-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J035-0458?
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What is the minimum amount of J035-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J035-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J035-0458
  • 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 J035-0458 available by request