0922-0085 Screening compound: 2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline

0922-0085 Screening compound: 2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline
0922-0085 Screening compound: 2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 0922-0085
2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline

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

0922-0085

Molecular Formula

C23H28N4 (C23 H28 N4)

Compound Name

2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline

IUPAC name

2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline

SMILES

CCCCN(CC1)CCN1c1nc2ccc(C)cc2c(-c2ccccc2)n1

InChI

InChI=1S/C23H28N4/c1-3-4-12-26-13-15-27(16-14-26)23-24-21-11-10-18(2)17-20(21)22(25-23)19-8-6-5-7-9-19/h5-11,17H,3-4,12-16H2,1-2H3

InChI Key

XSZKJVXMIROOMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00355617

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

360.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.650

Distribution Coefficient, logD

4.983

Water Solubility, LogSw

-5.64

Polar Surface Area

25.193

Acid Dissociation Constant (pKa)

20.95

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

0922-0085 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0922-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0922-0085?
Check Price and Availability of 0922-0085, 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 0922-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0922-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0922-0085
  • 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 0922-0085 available by request