J035-0307 Screening compound: 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-8,8-dimethyl-6H,7H,8H,9H-pyrazolo[1,5-a]quinazolin-6-one

J035-0307 Screening compound: 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-8,8-dimethyl-6H,7H,8H,9H-pyrazolo[1,5-a]quinazolin-6-one
J035-0307 Screening compound: 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-8,8-dimethyl-6H,7H,8H,9H-pyrazolo[1,5-a]quinazolin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J035-0307
3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-8,8-dimethyl-6H,7H,8H,9H-pyrazolo[1,5-a]quinazolin-6-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

J035-0307

Molecular Formula

C24H26ClN5O2 (C24 H26 ClN5 O2)

Compound Name

3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-8,8-dimethyl-6H,7H,8H,9H-pyrazolo[1,5-a]quinazolin-6-one

IUPAC name

3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-88-dimethyl-6H7H8H9H-pyrazolo[15-a]quinazolin-6-one

SMILES

CC(C)(Cc(n1nc2)c3cnc1c2C(N(CC1)CCN1c1c(C)ccc(Cl)c1)=O)CC3=O

InChI

InChI=1S/C24H26ClN5O2/c1-15-4-5-16(25)10-19(15)28-6-8-29(9-7-28)23(32)18-14-27-30-20-11-24(2,3)12-21(31)17(20)13-26-22(18)30/h4-5,10,13-14H,6-9,11-12H2,1-3H3

InChI Key

VADRSKFVAQZZMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.894

Distribution Coefficient, logD

3.894

Water Solubility, LogSw

-4.21

Polar Surface Area

55.257

Acid Dissociation Constant (pKa)

23.52

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

J035-0307 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J035-0307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J035-0307?
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What is the minimum amount of J035-0307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J035-0307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J035-0307
  • 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 J035-0307 available by request