6616-0001 Screening compound: 4-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobutanoic acid

6616-0001 Screening compound: 4-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobutanoic acid
6616-0001 Screening compound: 4-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6616-0001
4-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobutanoic acid

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

6616-0001

Molecular Formula

C23H24N4O3 (C23 H24 N4 O3)

Compound Name

4-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobutanoic acid

IUPAC name

4-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobutanoic acid

SMILES

Cc1ccc2nc(N(CC3)CCN3C(CCC(O)=O)=O)nc(-c3ccccc3)c2c1

InChI

InChI=1S/C23H24N4O3/c1-16-7-8-19-18(15-16)22(17-5-3-2-4-6-17)25-23(24-19)27-13-11-26(12-14-27)20(28)9-10-21(29)30/h2-8,15H,9-14H2,1H3,(H,29,30)

InChI Key

BMXHBXKMOZSMBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.274

Distribution Coefficient, logD

0.325

Water Solubility, LogSw

-3.46

Polar Surface Area

65.987

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

6616-0001 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Integrin Receptors Targeted library (1715 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 6616-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6616-0001?
Check Price and Availability of 6616-0001, 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 6616-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6616-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6616-0001
  • 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 6616-0001 available by request